SCHEMBL879030

SCHEMBL879030

CC(=O)Nc1ccc(Br)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.64
ALDH1A1 P00352 4/20 0.58
HTT P42858 6/20 0.58
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 3/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL17871105 0.85 ALDH1A1 (0.58) MAPK1ALDH1A1HTTCA1CA2
SCHEMBL30487767 0.85 ALDH1A1 (0.58) MAPK1ALDH1A1HTTCA1CA2
SCHEMBL7135117 0.83 MAPK1 (0.61) MAPK1ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL9836471 0.83 MAPK1 (0.61) MAPK1ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL31082328 0.83 RAB9A (0.66) ALDH1A1HTTCA1CA2CA9
SCHEMBL916727 0.83 RAB9A (0.66) ALDH1A1HTTCA1CA2CA9
SCHEMBL1284518 0.82 ALDH1A1 (0.64) ALDH1A1HTTCA1CA2CA9
SCHEMBL30930866 0.82 MAPK1 (0.69) MAPK1ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL11422495 0.82 MAPK1 (0.69) MAPK1ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL20310394 0.81 MAPK1 (0.59) MAPK1ALDH1A1HTTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179059-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-06-05 US disclosed
US-12162870-B2 Anticancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-12-10 US disclosed
CN-115745720-B Dehalogenation deuteration preparation method of deuteration aromatic compound 浙大宁波理工学院 2024-04-26 CN disclosed
EP-4351560-A1 ANTICANCER COMPOUNDS The Regents of the University of California (US) 2024-04-17 EP disclosed
CN-117794525-A Anticancer compounds 加利福尼亚大学董事会 2024-03-29 CN disclosed
CN-115745720-A Dehalogenation deuteration preparation method of deuteration aromatic compound 浙大宁波理工学院 2023-03-07 CN disclosed
US-20230025178-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-01-26 US disclosed
WO-2022261204-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-15 WO disclosed
EP-3575294-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Les Laboratoires Servier (FR) 2019-12-04 EP disclosed
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. 2018-01-04 US disclosed
US-20100069645-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER ARDEA BIOSCIENCES, INC. 2010-03-18 US disclosed
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase ARDEA BIOSCIENCES, INC. 2008-07-24 US disclosed
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase ARDEA BIOSCIENCES, INC. 2008-07-24 US disclosed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
EP-1003738-B1 BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-11-19 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
US-6391891-B1 ANTISEROTONINE AGENT; ANXIOLYTIC AGENTS, ANTIDEPRESSANTS SMITHKLINE BEECHAM PLC (GB) 2002-05-21 US disclosed
EP-1003738-A1 BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-05-31 EP disclosed
WO-1999007700-A1 BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1999-02-18 WO disclosed
EP-0376103-A1 A 2-acylamino-5-halogenated-cinnamic acid derivative and method for its production Nippon Kayaku Kabushiki Kaisha (JP) 1990-07-04 EP 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 (6 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-20250179059-A1 ANTICANCER COMPOUNDS BET1, BRD4, BICRA MAPK1 2457/4885ALDH1A1 3346/4885HTT 1993/4885
US-20230025178-A1 ANTICANCER COMPOUNDS BET1, BRD4, BICRA MAPK1 2457/4885ALDH1A1 3346/4885HTT 1993/4885
US-20100069645-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER GRHPR, POLR2H, ME2 MAPK1 3957/4885ALDH1A1 1839/4885HTT 2504/4885
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST MAPK1 3994/4885ALDH1A1 1407/4885HTT 3263/4885
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase SPR, POLR2H, QTRT1 MAPK1 4004/4885ALDH1A1 1574/4885HTT 2961/4885
US-12162870-B2 Anticancer compounds BET1, BRD4, BICRA MAPK1 2457/4885ALDH1A1 3346/4885HTT 1993/4885

“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.