SCHEMBL6969376

SCHEMBL6969376

Cn1c(C(=O)O)cc2cc(N)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.66
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 2/20 0.66
HPGD P15428 2/20 0.66
MCL1 Q07820 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.62
GPR35 Q9HC97 1/20 0.57
BRPF1 P55201 2/20 0.54
SRD5A2 P31213 2/20 0.52
GFER P55789 2/20 0.52
CCR2 P41597 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
GALR3 O60755 1/20 0.45
GAA P10253 1/20 0.45
PRKCI P41743 1/20 0.44
DYRK1B Q9Y463 2/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
CSNK1A1 P48729 1/20 0.44

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
SCHEMBL3061254 0.82 L3MBTL1 (0.70) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL30547707 0.81 KDM4E (0.68) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL5599830 0.81 KDM4E (0.68) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL2001537 0.81 HSD17B10 (0.68) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL5889548 0.81 KDM4E (0.68) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL10022665 0.80 MCL1 (0.63) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL986506 0.79 KDM4E (1.00) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL43328 0.79 KDM4E (0.66) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL418126 0.79 MCL1 (1.00) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL12825045 0.79 BRPF1 (0.50) HSD17B10KDM4EALDH1A1HPGDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102781914-B Indole derivatives TAKEDA PHARMACEUTICAL 2014-09-17 CN disclosed
CN-102781914-A Indole derivatives TAKEDA PHARMACEUTICAL 2012-11-14 CN disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
CN-102424680-A Viral polymerase inhibitors BOEHRINGER INGELHEIM CA LTD 2012-04-25 CN disclosed
CN-1558759-B Viral polymerase inhibitors BOEHRINGER INGELHEIM CA LTD 2012-01-25 CN disclosed
CN-1880304-B Triamide-substituted indoles, benzofuranes and benzothiophenes PFIZER 2010-11-24 CN disclosed
CN-1522246-B Triamide-substituted indoles, benzofurans and benzothiophenes PFIZER 2010-04-21 CN disclosed
CN-1880304-A Triamide-substituted indoles, benzofuranes and benzothiophenes PFIZER (US) 2006-12-20 CN disclosed
CN-1558759-A Viral polymerase inhibitors ���ָ����Ӣ��ķ���ô����޹�˾ 2004-12-29 CN disclosed
CN-1522246-A Triamide-substituted indoles, benzofurans and benzothiophenes as inhibitors of microsomal triglyceride transfer protein (MTP) and/or apolipoprotein B (APO B) secretion �Ʒ� 2004-08-18 CN disclosed
EP-0937070-B1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA ITALIA SPA (IT) 2003-12-03 EP disclosed
CN-1067988-C Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 2001-07-04 CN disclosed
US-6153642-A Benzoheterocyclic distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-28 US disclosed
CN-1051301-C Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 2000-04-12 CN disclosed
EP-0937070-A1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1999-08-25 EP disclosed
WO-1998021202-A1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1998-05-22 WO disclosed
CN-1106800-A Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 1995-08-16 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 (1 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B HSD17B10 3409/4885KDM4E 1141/4885ALDH1A1 787/4885

“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.