SCHEMBL1397682

SCHEMBL1397682

CNc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.71
ALDH1A1 P00352 3/20 0.71
GLA P06280 1/20 0.71
GAA P10253 1/20 0.71
HSD17B10 Q99714 1/20 0.69
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.56
ACLY P53396 1/20 0.55
SERPINE1 P05121 4/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
AKR1C3 P42330 2/20 0.53
AKR1C2 P52895 2/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C1 Q04828 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
PPARG P37231 1/20 0.51
PPARA Q07869 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
SCHEMBL12878517 0.86 KDM4E (0.54) KDM4EALDH1A1GLAGAAHSD17B10
SCHEMBL9796443 0.85 ALDH1A1 (0.71) KDM4EALDH1A1GLAGAAHSD17B10
SCHEMBL1321725 0.85 KDM4E (0.63) KDM4EALDH1A1GLAGAAHSD17B10
SCHEMBL11604753 0.84 KDM4E (0.68) KDM4EALDH1A1GAAHSD17B10TP53
SCHEMBL5649788 0.83 ALDH1A1 (1.00) KDM4EALDH1A1GLAGAAHSD17B10
SCHEMBL9681911 0.82 KDM4E (0.66) KDM4EALDH1A1GLAGAAHSD17B10
SCHEMBL13460162 0.82 KDM4E (0.66) KDM4EALDH1A1HSD17B10TP53ACLY
SCHEMBL31384417 0.82 MAPT (0.67) KDM4EALDH1A1GLAGAATP53
SCHEMBL333291 0.82 MAPT (0.67) KDM4EALDH1A1GLAGAATP53
SCHEMBL8959210 0.81 ALDH1A1 (0.67) KDM4EALDH1A1GLAGAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114516855-A Preparation of pyridylpyrazole amide compounds and intermediates therefor 湖南化工研究院有限公司 2022-05-20 CN disclosed
CN-114516854-A Preparation method of 1-pyridyl pyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2022-05-20 CN disclosed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379034-B Benzamide and heteroarene derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2011-12-28 CN disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
EP-2007726-B1 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-7674815-B2 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
US-7524855-B2 Selected benzofuran derivatives ARPIDA AG (CH) 2009-04-28 US disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
EP-1791810-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIA INHIBITORS F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
WO-2006072370-A1 SELECTED BENZOFURAN DERIVATIVES ARPIDA AG (CH) 2006-07-13 WO disclosed
US-20060116410-A1 4-Aminomethyl benzamidine derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 US disclosed
WO-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 WO disclosed
EP-0216028-A2 Use of anthranilic-acid derivatives as anthelmintic medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-01 EP disclosed
US-4263455-A FIBRINOLYTIC, ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1981-04-21 US disclosed
US-4192873-A Anti-inflammatory 2-sulphonyl- (or -sulphinyl)-2'-aminoacetophenones CIBA-GEIGY CORPORATION (US) 1980-03-11 US disclosed
US-4188326-A Indolopyrones having anti-allergic activity WARNER-LAMBERT COMPANY (US) 1980-02-12 US disclosed
US-4175083-A ANTIHISTAMINES, ANTIALLERGENS WARNER-LAMBERT COMPANY (US) 1979-11-20 US disclosed
US-4148806-A Process for the preparation of indolopyrones WARNER-LAMBERT COMPANY (US) 1979-04-10 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-20060116410-A1 4-Aminomethyl benzamidine derivatives F7, HABP2, F12 KDM4E 364/4885ALDH1A1 965/4885GLA 411/4885

“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.