Cindunistat

Cindunistat

SCHEMBL1843640

CC(=N)NCCSC[C@](C)(N)C(=O)O.Cl.Cl

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Cindunistat. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.51
NOS2 P35228 6/20 0.51
NOS3 P29474 3/20 0.51
TSHR P16473 1/20 0.39
GGT1 P19440 1/20 0.35
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
ALDH1A1 P00352 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Cindunistat SCHEMBL5640418 1.00 NOS1 (0.51) NOS1NOS2NOS3TSHRGGT1
Cindunistat SCHEMBL27623381 1.00 NOS1 (0.51) NOS1NOS2NOS3TSHRGGT1
Cindunistat SCHEMBL5644203 0.98 NOS1 (0.49) NOS1NOS2NOS3TSHRGGT1
Cindunistat SCHEMBL14572932 0.98 NOS1 (0.49) NOS1NOS2NOS3TSHRGGT1
Cindunistat SCHEMBL119959 0.98 NOS1 (0.49) NOS1NOS2NOS3TSHRGGT1
Cindunistat SCHEMBL29379550 0.93 NOS1 (0.46) NOS1NOS2NOS3TSHRGGT1
Cindunistat SCHEMBL1841632 0.93 NOS1 (0.46) NOS1NOS2NOS3TSHRGGT1
Cindunistat SCHEMBL27623377 0.93 NOS1 (0.46) NOS1NOS2NOS3TSHRGGT1
Cindunistat SCHEMBL6313297 0.91 NOS1 (0.43) NOS1NOS2NOS3TSHRGGT1
Cindunistat SCHEMBL1842090 0.91 NOS1 (0.43) NOS1NOS2NOS3TSHRGGT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995281-B2 Methods for selectively removing counterions from compounds and compounds derived from such methods PFIZER, INC. (US) 2006-02-07 US claimed
EP-1603671-A2 METHODS FOR SELECTIVELY REMOVING COUNTERIONS FROM COMPOUNDS AND COMPOUNDS DERIVED FROM SUCH METHODS Pharmacia Corporation (US) 2005-12-14 EP claimed
US-20040225150-A1 Methods for selectively removing counterions from compounds and compounds derived from such methods PHARMACIA & UPJOHN COMPANY 2004-11-11 US claimed
WO-2004081073-A2 METHODS FOR SELECTIVELY REMOVING COUNTERIONS FROM COMPOUNDS AND COMPOUNDS DERIVED FROM SUCH METHODS PHARMACIA CORPORATION (US) 2004-09-23 WO claimed
EP-1603872-B1 S-[2-[(1-IMINOETHYL)AMINO]ETHYL]-2-METHYL-L-CYSTEINE MALEATE HYDROCHLORIDE CRYSTALLINE SALT PHARMACIA CORP (US) 2011-05-18 EP disclosed
US-7767850-B2 S-[2-[(1-iminoethy)amino]ethyl]-2-methyl-L-cysteine maleate hydrochloride crystalline salt PFIZER INC. (US) 2010-08-03 US disclosed
US-20090215891-A1 S-[2-[(1-lminoethy)Amino]Ethyl]-2-Methyl-L-Cysteine Maleate Hydrochloride Crystalline Salt PFIZER, INC. (US) 2009-08-27 US disclosed
US-7196118-B2 Amidino compounds useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2007-03-27 US disclosed
EP-1575563-B1 NON-HYGROSCOPIC FORMULATION COMPRISING A HYDROSCOPIC DRUG PHARMACIA CORP (US) 2007-02-14 EP disclosed
US-7102013-B2 Methods of making amidino compounds useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2006-09-05 US disclosed
US-7012098-B2 Inhibitors of inducible nitric oxide synthase for chemoprevention and treatment of cancers PHARMACIA CORPORATION (US) 2006-03-14 US disclosed
US-6995281-B2 Methods for selectively removing counterions from compounds and compounds derived from such methods PFIZER, INC. (US) 2006-02-07 US disclosed
US-20030013702-A1 Agents and methods for treatment of cancer PHARMACIA CORPORATION 2003-01-16 US disclosed
EP-1265860-A1 AMIDINO COMPOUND AND SALTS THEREOF USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2002-12-18 EP disclosed
EP-1265859-A2 AMIDINO COMPOUNDS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2002-12-18 EP disclosed
US-20020111493-A1 Amidino compounds useful as nitric oxide synthase inhibitors PHARMACIA LLC 2002-08-15 US disclosed
US-6403830-B2 A S-(2-(1-IMINOETHYL)AMINO)ETHYL)-2-METHYL-L-CYSTEINE AND SALTS PHARMACIA CORPORATION 2002-06-11 US disclosed
US-20020019563-A1 Amidino compound and salts thereof useful as nitric oxide synthase inhibitors PHARMACIA LLC 2002-02-14 US disclosed
WO-2001072702-A2 AMIDINO COMPOUNDS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2001-10-04 WO disclosed
WO-2001072703-A1 AMIDINO COMPOUND AND SALTS THEREOF USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2001-10-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030013702-A1 Agents and methods for treatment of cancer FAP, APC, PTGIS NOS1 20/4885NOS2 11/4885NOS3 22/4885
US-20020111493-A1 Amidino compounds useful as nitric oxide synthase inhibitors NOS2, NOS1, NOS3 NOS1 2/4885NOS2 1/4885NOS3 3/4885
US-20040225150-A1 Methods for selectively removing counterions from compounds and compounds derived from such methods BHMT2, MGMT, BHMT NOS1 3242/4885NOS2 2227/4885NOS3 2645/4885
US-20020019563-A1 Amidino compound and salts thereof useful as nitric oxide synthase inhibitors NOS2, NOS1, NOS3 NOS1 2/4885NOS2 1/4885NOS3 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.