SCHEMBL3971262

SCHEMBL3971262

COc1ccc(CN)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.57
EP300 Q09472 1/20 0.55
KAT8 Q9H7Z6 1/20 0.55
SLC2A1 P11166 2/20 0.54
SLC6A4 P31645 1/20 0.52
CYP2C9 P11712 1/20 0.51
HIF1A Q16665 1/20 0.51
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46

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
Hydrochloric Acid SCHEMBL1134107 0.98 EP300 (0.58) IDO1EP300KAT8SLC2A1SLC6A4
SCHEMBL2986215 0.88 TAAR1 (0.50) IDO1EP300KAT8SLC2A1SLC6A4
SCHEMBL1254103 0.85 TAAR1 (0.61) IDO1EP300KAT8SLC2A1SLC6A4
SCHEMBL31618118 0.85 TAAR1 (0.61) IDO1EP300KAT8SLC2A1SLC6A4
SCHEMBL8816742 0.83 CYP2C9 (0.68) IDO1EP300KAT8SLC2A1SLC6A4
SCHEMBL2142409 0.82 SLC6A4 (0.58) IDO1EP300KAT8SLC2A1SLC6A4
SCHEMBL2608801 0.82 CYP2C9 (0.57) IDO1EP300KAT8SLC2A1SLC6A4
SCHEMBL8429646 0.82 CYP2C9 (0.57) IDO1EP300KAT8SLC2A1SLC6A4
SCHEMBL15345729 0.81 ALDH1A1 (0.46) SLC2A1MAPTLMNAALOX15HTT
SCHEMBL2089629 0.80 CYP2C9 (0.55) IDO1EP300KAT8SLC2A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066682-A1 Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US claimed
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 EP disclosed
US-8492568-B2 Chromane derivatives as TRPV3 modulators Glenmark Pharamceuticals S.A. (CH) 2013-07-23 US disclosed
US-20110098316-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-04-28 US disclosed
US-7569574-B2 Purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-04 US disclosed
EP-1532150-B1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-11 EP disclosed
US-20070066682-A1 Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US disclosed
EP-1532150-A1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-25 EP disclosed
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 US disclosed
WO-2004018469-A1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO disclosed
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed
US-5011839-A Antagonists to slow reacting substance of anaphylaxis NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-04-30 US disclosed
EP-0376079-A1 3(2H)pyridazinones, processes for their preparation and antagonistic agent against SRS-A NISSAN CHEMICAL INDUSTRIES LTD. (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 (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-20070066682-A1 Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus GPR119, ABCC1, INSR IDO1 159/4885EP300 1216/4885KAT8 3066/4885
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 IDO1 1028/4885EP300 4678/4885KAT8 4836/4885
US-20110098316-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS TRPV3, TRPV2, TRPV1 IDO1 1709/4885EP300 1162/4885KAT8 1544/4885
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 IDO1 1306/4885EP300 49/4885KAT8 366/4885

“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.