SCHEMBL388060

SCHEMBL388060

COc1cc(C)cc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
ACHE P22303 3/20 0.44
CYP3A4 P08684 3/20 0.41
PTPN1 P18031 2/20 0.39
MAPK1 P28482 3/20 0.37
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
MAOB P27338 1/20 0.36
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
ELANE P08246 1/20 0.35
ALOX15 P16050 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL29427076 1.00 ALDH1A1 (0.48) ALDH1A1ACHECYP3A4PTPN1MAPK1
Ammonia Solution, Strong SCHEMBL1085422 0.98 ALDH1A1 (0.46) ALDH1A1ACHECYP3A4PTPN1MAPK1
SCHEMBL6726921 0.84 TACR1 (0.36) ALDH1A1ACHEPTPN1MAPK1MAOB
SCHEMBL202288 0.84 ALDH1A1 (0.69) ALDH1A1CYP3A4MAPK1CYP1A1CYP1B1
SCHEMBL309832 0.84 ALDH1A1 (0.59) ALDH1A1CYP3A4MAPK1CYP1A1CYP1B1
SCHEMBL2999328 0.81 ALDH1A1 (0.65) ALDH1A1CYP3A4MAPK1CYP1A1CYP1B1
SCHEMBL3966378 0.81 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP1A1CYP1B1MAOB
SCHEMBL145855 0.81 ALDH1A1 (0.62) ALDH1A1ACHECYP3A4PTPN1MAPK1
SCHEMBL12501 0.81 ALDH1A1 (0.73) ALDH1A1ACHECYP3A4PTPN1MAPK1
SCHEMBL29587173 0.78 ALDH1A1 (0.59) ALDH1A1ACHECYP3A4PTPN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501132-A A kind of preparation technology of the Methoxybenzenesulfonyl chloride of 3 methyl 5 贵州大学 2017-12-22 CN claimed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
US-20260062393-A1 Compounds CTXT PTY LTD (AU) 2026-03-05 US disclosed
EP-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 EP disclosed
US-12365655-B2 Compounds CTXT PTY LTD (AU) 2025-07-22 US disclosed
CN-112334466-B Compounds of formula (I) CTXT私人有限公司 2025-05-30 CN disclosed
US-12150934-B2 Methods of using substituted pyrazole and pyrazole compounds and for treatment of hyperproliferative diseases BANTAM PHARMACEUTICAL, LLC (US) 2024-11-26 US disclosed
EP-3802492-B1 COMPOUNDS USEFUL IN THE TREATMENT OF DISORDERS ASSOCIATED WITH MUTANT RAS THE INSTITUTE OF CANCER RES ROYAL CANCER HOSPITAL (GB) 2024-11-06 EP disclosed
EP-4217062-B1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-10-09 EP disclosed
WO-2024153947-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-07-25 WO disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
EP-0748311-B1 THERAPEUTIC BENZONITRILES WELLCOME FOUND (GB) 1999-08-04 EP disclosed
US-5723452-A Therapeutic benzonitriles GLAXO WELLCOME INC. (US) 1998-03-03 US disclosed
EP-0748311-A1 THERAPEUTIC BENZONITRILES THE WELLCOME FOUNDATION LIMITED (GB) 1996-12-18 EP disclosed
WO-1995023133-A1 THERAPEUTIC BENZONITRILES THE WELLCOME FOUNDATION LIMITED (GB) 1995-08-31 WO disclosed
EP-0229510-B1 SULFINYL AND SULFONYL SUBSTITUTED-3-BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 1990-06-06 EP disclosed
US-4824839-A Sulfinyl and sulfonyl substituted 2,3,4,5 tetrahydro-1H-3-benzazepines and their use in treating gastrointestinal motility disorders SMITHKLINE BECKMAN CORPORATION (US) 1989-04-25 US disclosed
EP-0229510-A1 Sulfinyl and sulfonyl substituted-3-benzazepines SMITHKLINE BEECHAM CORPORATION (US) 1987-07-22 EP disclosed
CN-86108627-A The 3-benzazepines that sulfinyl and sulphonyl replace 1987-07-22 CN disclosed
US-4659706-A Sulfinyl and sulfonyl substituted 3-benzazepines SMITHKLINE BECKMAN CORPORATION (US) 1987-04-21 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-20260062393-A1 Compounds SCN2B, ABCB11, SCN1B ALDH1A1 1864/4885ACHE 2636/4885CYP3A4 329/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP ALDH1A1 472/4885ACHE 52/4885CYP3A4 1069/4885
US-12365655-B2 Compounds SLC10A1, ABCB11, PCSK9 ALDH1A1 982/4885ACHE 1768/4885CYP3A4 50/4885
US-12150934-B2 Methods of using substituted pyrazole and pyrazole compounds and for treatment of hyperproliferative diseases KRAS, TP53, CCNA1 ALDH1A1 480/4885ACHE 3540/4885CYP3A4 1561/4885

“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.