SCHEMBL9818286

SCHEMBL9818286

CC(C=O)c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD11B1 P28845 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL95838 0.83 CYP2C19 (0.35) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL8304556 0.82 HTT (0.33) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL2559434 0.77 IDO1 (0.38) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL933028 0.77 GABRA1 (0.50) CYP2C19ALDH1A1CYP3A4GABRA1GABRB2
SCHEMBL1044900 0.77 HTT (0.47) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL9165865 0.76 ESR1 (0.46) ALDH1A1GABRA1GABRB2GAA
SCHEMBL21495057 0.76 IDO1 (0.37) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL166469 0.76 IDO1 (0.37) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL2550047 0.76 ESR1 (0.46) ALDH1A1GABRA1GABRB2GAA
SCHEMBL22445604 0.74 IDO1 (0.40) HTTCYP2C19CYP2C9ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139543-B2 Thiazole compounds and uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-09-22 US disclosed
US-20150119430-A1 Thiazole Compounds and Uses Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-04-30 US disclosed
CN-102498111-A Sulfonamides as inhibitors of Bcl-2 family proteins for the treatment of cancer NOVARTIS AG 2012-06-13 CN disclosed
CN-101679395-B Triazolyl aminopyrimidine compounds LILLY CO ELI 2012-06-13 CN disclosed
CN-101679395-A triazolyl aminopyrimidine compounds LILLY CO ELI 2010-03-24 CN disclosed
CN-101208342-A Pyrrolobenzodiazepine * pyridine carboxamides and derivatives as follicle stimulating hormone receptor antagonists WYETH CORP (US) 2008-06-25 CN disclosed
CN-1639146-A Fused tricyclic heterocycles useful for the treatment of hyperproliferative diseases BAYER PHARMACEUTICALS CORP (US) 2005-07-13 CN disclosed
CN-1252070-A 5,7-disubstituted 4-aminopyrido [2,3,-d] pyrimidine compounds and their use as adenosine kinase inhibitors ABBOTT LAB (US) 2000-05-03 CN disclosed
EP-0126635-B1 NOVEL OXINDOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-18 EP disclosed
US-4694017-A 2-amido 3(oxindol-3-yl)propionic acids having antiulcer activity OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-15 US disclosed
EP-0126635-A2 Novel oxindole derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-28 EP disclosed
US-4417052-A ANTIINFLAMMATORY AGENTS; ANALGESICS; VIRICIDES STERLING DRUG INC. (US) 1983-11-22 US disclosed
US-4308382-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1981-12-29 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 (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-20150119430-A1 Thiazole Compounds and Uses Thereof BAX, TNNT2, TNNI3 HTT 1364/4885CYP2C19 2172/4885CYP2C9 1761/4885

“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.