SCHEMBL5154428

SCHEMBL5154428

Nc1cnc(-c2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
LMNA P02545 2/20 0.46
HPGDS O60760 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
ADORA2B P29275 1/20 0.44
CYP1A2 P05177 1/20 0.42
PDPK1 O15530 1/20 0.42
CYP11B1 P15538 3/20 0.41

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
SCHEMBL2684464 0.81 KDM4E (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16601901 0.80 KDM4E (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23367954 0.79 APP (0.44) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL27667559 0.79 NOTUM (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL17101469 0.79 KDM4E (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1523919 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL185735 0.76 HSD17B1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2096089 0.76 NPC1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16652089 0.75 LOXL2 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20379368 0.75 HSD17B1 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
WO-2024151666-A1 CARBOXYLIC ACID ANALOGS AS GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed
US-11993595-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2024-05-28 US disclosed
US-20240083895-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2024-03-14 US disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
US-11618749-B2 Compounds and compositions for treating conditions associated with STING activity IFM DUE, INC. (US) 2023-04-04 US disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
US-11472798-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2022-10-18 US disclosed
US-11370784-B2 Cyano-substituted heterocycles with activity as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2022-06-28 US disclosed
US-20210284631-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-09-16 US disclosed
EP-2976327-A2 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP disclosed
CN-105228982-A 3-acetylamino-1- (phenyl-heteroaryl-aminocarbonyl or phenyl-heteroaryl-carbonylamino) benzene derivatives for the treatment of hyperproliferative disorders Bayer Pharma AG 2016-01-06 CN disclosed
WO-2014147021-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
US-20140179735-A1 TYROSINE PHOSPHATASE INHIBITORS AND USES THEREOF TO MODULATE THE ACTIVITY OF ENZYMESp INVOLVED IN THE PATHOLOGY OF MYCOBACTERIUM TUBERCULOSIS INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2014-06-26 US disclosed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
CN-1913865-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-02-14 CN disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 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 (9 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-11472798-B2 Compounds UCHL1, UCHL3, UCHL5 ALDH1A1 300/4885NPC1 2436/4885RAB9A 519/4885
US-20210284631-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 USP30, USP28, USP1 ALDH1A1 743/4885NPC1 3116/4885RAB9A 3037/4885
US-20140179735-A1 TYROSINE PHOSPHATASE INHIBITORS AND USES THEREOF TO MODULATE THE ACTIVITY OF ENZYMESp INVOLVED IN THE PATHOLOGY OF MYCOBACTERIUM TUBERCULOSIS PPP3CB, PPP4C, PTPRB ALDH1A1 803/4885NPC1 4752/4885RAB9A 2616/4885
US-11370784-B2 Cyano-substituted heterocycles with activity as inhibitors of USP30 USP30, USP28, USP1 ALDH1A1 743/4885NPC1 3116/4885RAB9A 3037/4885
US-11993595-B2 Compounds UCHL1, UCHL3, UCHL5 ALDH1A1 300/4885NPC1 2436/4885RAB9A 519/4885
US-11618749-B2 Compounds and compositions for treating conditions associated with STING activity STING1, IRF3, CGAS ALDH1A1 4473/4885NPC1 517/4885RAB9A 928/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 ALDH1A1 285/4885NPC1 2546/4885RAB9A 480/4885
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 ALDH1A1 782/4885NPC1 4814/4885RAB9A 4235/4885
US-20240083895-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4654/4885NPC1 859/4885RAB9A 876/4885

“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.