SCHEMBL1029569

SCHEMBL1029569

Nc1cccc(OC2CCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MAOB P27338 2/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
TP53 P04637 1/20 0.46
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
KAT6A Q92794 1/20 0.42
MCHR1 Q99705 2/20 0.41
IGF1R P08069 2/20 0.41
HRH1 P35367 1/20 0.41
PARP10 Q53GL7 1/20 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
SCHEMBL30469288 1.00 CYP3A4 (0.50) CYP3A4ALDH1A1MAOBCASP1RECQL
SCHEMBL13369995 0.98 CYP3A4 (0.48) CYP3A4ALDH1A1MAOBCASP1RECQL
SCHEMBL14999402 0.96 CYP3A4 (0.50) CYP3A4ALDH1A1MAOBCASP1RECQL
SCHEMBL29370524 0.96 CYP3A4 (0.50) CYP3A4ALDH1A1MAOBCASP1RECQL
SCHEMBL30361750 0.92 CYP3A4 (0.54) CYP3A4ALDH1A1MAOBCASP1RECQL
SCHEMBL14155651 0.92 CYP3A4 (0.54) CYP3A4ALDH1A1MAOBCASP1RECQL
SCHEMBL11663045 0.85 SLC6A4 (0.47) MAOBF2PLGPLAUPLAT
SCHEMBL2627279 0.83 CYP3A4 (0.46) CYP3A4ALDH1A1MAOBCASP1RECQL
SCHEMBL2951292 0.83 CYP3A4 (0.46) CYP3A4ALDH1A1MAOBCASP1RECQL
SCHEMBL30098499 0.83 CYP3A4 (0.46) CYP3A4ALDH1A1MAOBCASP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3037412-B1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2020-09-30 EP claimed
CN-105658625-B Indole amide compounds as inhibitors of cellular necrosis 株式会社LG化学 2019-05-03 CN claimed
US-9868731-B2 Indole amide compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2018-01-16 US claimed
US-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-07 US claimed
EP-3037412-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP claimed
US-12358869-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE 2025-07-15 US disclosed
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE 2021-10-28 US disclosed
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE 2021-10-28 US disclosed
US-11084781-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE (US) 2021-08-10 US disclosed
US-11084781-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE (US) 2021-08-10 US disclosed
EP-3037412-B1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2020-09-30 EP disclosed
US-10738056-B2 Pyrazolopyrimidinone compounds and uses thereof ADURO BIOTECH INC. (US) 2020-08-11 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
WO-2011001114-A1 NOVEL (6-OXO-1, 6-DIHYDRO-PYRIMIDIN-2-YL)-AMIDE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI-AVENTIS (FR) 2011-01-06 WO disclosed
US-20070287716-A1 Pyrimidine and Quinoline Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2007-12-13 US disclosed
CN-101048384-A Pyrimidine and quinoline potentiators of metabotropic glutamate receptors MERCK & CO INC (US) 2007-10-03 CN disclosed
EP-1809608-A1 PYRIMIDINE AND QUINOLINE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-07-25 EP disclosed
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 WO disclosed
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 WO disclosed
WO-2006049968-A1 PYRIMIDINE AND QUINOLINE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-05-11 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 (7 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-20070287716-A1 Pyrimidine and Quinoline Potentiators of Metabotropic Glutamate Receptors GRM2, GRM1, GRIN2A CYP3A4 3745/4885ALDH1A1 3466/4885MAOB 2141/4885
US-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF CYP3A4 2967/4885ALDH1A1 2991/4885MAOB 162/4885
US-12358869-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 CYP3A4 2330/4885ALDH1A1 2918/4885MAOB 1514/4885
US-10738056-B2 Pyrazolopyrimidinone compounds and uses thereof NLRP3, NLRP1, P2RX7 CYP3A4 692/4885ALDH1A1 1246/4885MAOB 832/4885
US-11084781-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 CYP3A4 2330/4885ALDH1A1 2918/4885MAOB 1514/4885
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 CYP3A4 2193/4885ALDH1A1 2326/4885MAOB 743/4885
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 CYP3A4 2330/4885ALDH1A1 2918/4885MAOB 1514/4885

“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.