Pracinostat

Pracinostat

SCHEMBL19554752

CCCCc1nc2cc(C=CC(=O)NO)ccc2n1CCN(CC)CC.Cl.Cl.O

nearest known ligand 0.98

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

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 known ✓ Q13547 20/20 0.98
HDAC8 known ✓ Q9BY41 7/20 0.98
HDAC3 known ✓ O15379 6/20 0.98
HDAC2 known ✓ Q92769 6/20 0.98
HDAC6 known ✓ Q9UBN7 6/20 0.98
HDAC4 known ✓ P56524 5/20 0.98
HDAC7 known ✓ Q8WUI4 5/20 0.98
HDAC10 known ✓ Q969S8 5/20 0.98
HDAC11 known ✓ Q96DB2 5/20 0.98
HDAC9 known ✓ Q9UKV0 5/20 0.98
HDAC5 known ✓ Q9UQL6 5/20 0.98
CYP3A4 P08684 3/20 0.98
CYP2C19 P33261 3/20 0.98
NCOR2 Q9Y618 1/20 0.96
CYP2D6 P10635 1/20 0.76
CYP2C9 P11712 1/20 0.76

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
Pracinostat SCHEMBL19554780 1.00 HDAC1 (0.98) HDAC1HDAC8HDAC3HDAC2HDAC6
Pracinostat SCHEMBL19554778 1.00 HDAC1 (0.98) HDAC1HDAC8HDAC3HDAC2HDAC6
Pracinostat SCHEMBL19554751 1.00 HDAC1 (0.98) HDAC1HDAC8HDAC3HDAC2HDAC6
Pracinostat SCHEMBL20984951 1.00 HDAC1 (0.98) HDAC1HDAC8HDAC3HDAC2HDAC6
Pracinostat SCHEMBL19554744 0.99 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC2HDAC6
Pracinostat SCHEMBL19555094 0.99 HDAC1 (0.98) HDAC1HDAC8HDAC3HDAC2HDAC6
Pracinostat SCHEMBL19555095 0.99 HDAC1 (0.98) HDAC1HDAC8HDAC3HDAC2HDAC6
Pracinostat SCHEMBL19554745 0.99 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC2HDAC6
Pracinostat SCHEMBL833106 0.98 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC2HDAC6
Pracinostat SCHEMBL29351549 0.98 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3939966-A1 POLYMORPHIC FORMS OF 3-[2-BUTYL-1-(2-DIETHYLAMINO-ETHYL)-1H-BENZOIMIDAZOL-5-YL]-N-HYDROXY-ACRYLAMIDE AND USES THEREOF MEI Pharma, Inc. (US) 2022-01-19 EP disclosed
EP-3452035-B1 POLYMORPHIC FORMS OF 3-[2-BUTYL-1-(2-DIETHYLAMINO-ETHYL)-1H-BENZOIMIDAZOL-5-YL]-N-HYDROXY-ACRYLAMIDE AND USES THEREOF MEI PHARMA INC (US) 2021-07-07 EP disclosed
US-20200317621-A1 POLYMORPHIC FORMS OF 3-[2-BUTYL-1-(2-DIETHYLAMINO-ETHYL)-1H-BENZOIMIDAZOL-5-YL]-N-HYDROXY-ACRYLAMIDE AND USES THEREOF MEI PHARMA, INC. 2020-10-08 US disclosed
US-10626092-B2 Polymorphic forms of 3-[(2-butyl-1-(2-diethylamino-ethyl)-1H-benzoimidazol-5-yl]-N-hydroxy-acrylamide and uses thereof MEI PHARMA, INC. (US) 2020-04-21 US disclosed
US-20190152923-A1 POLYMORPHIC FORMS OF 3-[2-BUTYL-1-(2-DIETHYLAMINO-EHTYL)-1H-BENZOIMIDAZOL-5-YL]-N-HYDROXY-ACRYLAMIDE AND USES THEREOF MEI PHARMA, INC. 2019-05-23 US disclosed
EP-3452035-A1 POLYMORPHIC FORMS OF 3-[2-BUTYL-1-(2-DIETHYLAMINO-EHTYL)-1H-BENZOIMIDAZOL-5-YL]-N-HYDROXY-ACRYLAMIDE AND USES THEREOF MEI Pharma, Inc. (US) 2019-03-13 EP disclosed
WO-2017192451-A1 POLYMORPHIC FORMS OF 3-[2-BUTYL-1-(2-DIETHYLAMINO-EHTYL)-1H-BENZOIMIDAZOL-5-YL]-N-HYDROXY-ACRYLAMIDE AND USES THEREOF MEI PHARMA, INC. (US) 2017-11-09 WO disclosed
US-20150340618-A1 LUMINESCENT MATERIAL FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE CHEIL INDUSTRIES INC. (KR) 2015-11-26 US 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-20200317621-A1 POLYMORPHIC FORMS OF 3-[2-BUTYL-1-(2-DIETHYLAMINO-ETHYL)-1H-BENZOIMIDAZOL-5-YL]-N-HYDROXY-ACRYLAMIDE AND USES THEREOF BRCA1, HLA-DRB1, FANCI HDAC1 4170/4885HDAC8 4326/4885HDAC3 3780/4885
US-20150340618-A1 LUMINESCENT MATERIAL FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OCIAD1, OCIAD2, OR10J3 HDAC1 3827/4885HDAC8 4869/4885HDAC3 4871/4885
US-10626092-B2 Polymorphic forms of 3-[(2-butyl-1-(2-diethylamino-ethyl)-1H-benzoimidazol-5-yl]-N-hydroxy-acrylamide and uses thereof HLA-DRB1, BRCA1, FANCI HDAC1 4097/4885HDAC8 4288/4885HDAC3 3667/4885
US-20190152923-A1 POLYMORPHIC FORMS OF 3-[2-BUTYL-1-(2-DIETHYLAMINO-EHTYL)-1H-BENZOIMIDAZOL-5-YL]-N-HYDROXY-ACRYLAMIDE AND USES THEREOF HLA-DRB1, BRCA1, HTT HDAC1 4338/4885HDAC8 4251/4885HDAC3 4186/4885

“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.