Kuromanin

Kuromanin

SCHEMBL3765133

Cl.OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O.[Cl-]

nearest known ligand 0.96

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 Kuromanin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 2/20 0.96
GAA known ✓ P10253 4/20 0.50
ADRA2C known ✓ P18825 1/20 0.50
CA2 known ✓ P00918 1/20 0.50
MAOA known ✓ P21397 1/20 0.50
GLA known ✓ P06280 1/20 0.50
CD38 P28907 2/20 0.96
F2 P00734 2/20 0.85
SNCA P37840 1/20 0.51
GLO1 Q04760 1/20 0.51
KDM4E B2RXH2 4/20 0.50
AKR1B1 P15121 4/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.50
P4HB P07237 2/20 0.50
EPHX2 P34913 2/20 0.50
NOX4 Q9NPH5 1/20 0.50
CA12 O43570 1/20 0.50
KDM1A O60341 1/20 0.50
SLCO2B1 O94956 1/20 0.50

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
Kuromanin SCHEMBL625949 1.00 DPP4 (0.96) DPP4CD38F2SNCAGLO1
Kuromanin SCHEMBL29762023 0.99 DPP4 (0.98) DPP4CD38F2SNCAGLO1
Kuromanin SCHEMBL440823 0.99 DPP4 (0.98) DPP4CD38F2SNCAGLO1
Kuromanin SCHEMBL29377806 0.99 DPP4 (0.98) DPP4CD38F2SNCAGLO1
Kuromanin SCHEMBL158216 0.99 DPP4 (0.98) DPP4CD38F2SNCAGLO1
Kuromanin SCHEMBL29349461 0.99 DPP4 (0.98) DPP4CD38F2SNCAGLO1
Kuromanin SCHEMBL5509009 0.99 CD38 (0.98) DPP4CD38F2SNCAGLO1
Kuromanin SCHEMBL316825 0.99 DPP4 (0.98) DPP4CD38F2SNCAGLO1
Kuromanin SCHEMBL5510421 0.98 CD38 (0.96) DPP4CD38F2SNCAGLO1
Kuromanin SCHEMBL1096430 0.98 CD38 (1.00) DPP4CD38F2SNCAGLO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101686954-B Inhibition of AGE formation BASF BEAUTY CARE SOLUTIONS F 2015-03-18 CN disclosed
EP-2585087-A1 A PREPARATION FOR BALANCING THE COMPOSITION OF THE ORAL MICROBIAL FLORA Pärnänen, Pirjo (FI) 2013-05-01 EP disclosed
US-20130078202-A1 INHIBITION OF THE FORMATION OF AGEs BASF BEAUTY CARE SOLUTIONS FRANCE S.A.S. (FR) 2013-03-28 US disclosed
WO-2011157898-A1 A PREPARATION FOR BALANCING THE COMPOSITION OF THE ORAL MICROBIAL FLORA PAERNAENEN PIRJO (FI) 2011-12-22 WO disclosed
US-20100316743-A1 INHIBITION OF THE FORMATION OF AGEs BASF BEAUTY CARE SOLUTIONS FRANCE S.A.S. (FR) 2010-12-16 US disclosed
CN-101686954-A The inhibition that AGE forms BASF BEAUTY CARE SOLUTIONS F 2010-03-31 CN 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 (2 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-20100316743-A1 INHIBITION OF THE FORMATION OF AGEs AGER, GLA, S100A6 DPP4 192/4885GAA 107/4885ADRA2C 3397/4885
US-20130078202-A1 INHIBITION OF THE FORMATION OF AGEs AGER, GLA, S100A6 DPP4 192/4885GAA 107/4885ADRA2C 3397/4885

“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.