SCHEMBL577915

SCHEMBL577915

COc1ccc2ccn[c]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 1/20 0.44
NCF1 P14598 1/20 0.43
NQO1 P15559 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP11B2 P19099 5/20 0.39
CYP11B1 P15538 4/20 0.39
NPC1 O15118 3/20 0.39
CYP17A1 P05093 2/20 0.39
CYP19A1 P11511 1/20 0.39
POLB P06746 2/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NQO2 P16083 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL577971 0.85 RAB9A (0.46) RAB9ACYP1A2CYP2A6NCF1NQO1
SCHEMBL3490092 0.76 ALDH1A1 (0.42) RAB9ACYP1A2ALDH1A1NPC1KDM4E
SCHEMBL2358946 0.75 CYP1A2 (0.42) CYP1A2CYP2A6MEN1KMT2AALDH1A1
SCHEMBL1450911 0.71 MEN1 (0.38) CYP1A2MEN1KMT2AALDH1A1CYP11B2
SCHEMBL208536 0.71 NR4A2 (0.38) CYP2A6PDGFRBPDGFRA
SCHEMBL209074 0.71 BACE1 (0.38) RAB9ACYP1A2CYP2A6ALDH1A1NPC1
SCHEMBL208082 0.71 BACE1 (0.38) CYP1A2CYP2A6MEN1KMT2AALDH1A1
SCHEMBL15512385 0.70 ALDH1A1 (0.35) RAB9ACYP1A2MEN1KMT2AALDH1A1
SCHEMBL443070 0.70 CYP1A2 (0.79) RAB9ACYP1A2CYP2A6NCF1NQO1
SCHEMBL29447161 0.70 CYP1A2 (0.79) RAB9ACYP1A2CYP2A6NCF1NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354094-B1 INDOLONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SYNTHELABO (FR) 1991-12-27 EP claimed
US-5010079-A Treatment of psychological disorders SYNTHELABO (FR) 1991-04-23 US claimed
JP-2073062-A None JP disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed
US-5010079-A Treatment of psychological disorders SYNTHELABO (FR) 1991-04-23 US disclosed
US-5010079-A Treatment of psychological disorders SYNTHELABO (FR) 1991-04-23 US disclosed
JP-H0273062-A INDOLONE DERIVATIVE, ITS PREPARATION, AND DRUG CONTAINING IT SYNTHELABO SA 1990-03-13 JP disclosed
EP-0354094-A1 Indolone derivatives, their preparation and their therapeutical use SYNTHELABO (FR) 1990-02-07 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 (5 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RAB9A 2719/4885CYP1A2 670/4885CYP2A6 1012/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP RAB9A 2719/4885CYP1A2 670/4885CYP2A6 1012/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RAB9A 2215/4885CYP1A2 744/4885CYP2A6 1199/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RAB9A 2215/4885CYP1A2 744/4885CYP2A6 1199/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RAB9A 2719/4885CYP1A2 670/4885CYP2A6 1012/4885

“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.