SCHEMBL3972355

SCHEMBL3972355

Cc1ccc(=O)n(-c2cccnc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
HSD17B10 Q99714 3/20 0.66
KDM4E B2RXH2 1/20 0.66
CYP1A2 P05177 1/20 0.66
HPGD P15428 1/20 0.66
BLM P54132 1/20 0.66
CYP2A6 P11509 4/20 0.49
CYP2E1 P05181 2/20 0.49
CYP3A4 P08684 2/20 0.49
EP300 Q09472 1/20 0.46
KAT2B Q92831 1/20 0.46
TLR8 Q9NR97 1/20 0.45
HTT P42858 2/20 0.45
ELANE P08246 1/20 0.44
MDM2 Q00987 1/20 0.44
AR P10275 1/20 0.43
ALOX12 P18054 1/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL10059378 0.82 ALDH1A1 (0.59) ALDH1A1HSD17B10KDM4ECYP1A2HPGD
SCHEMBL143243 0.80 ALDH1A1 (0.67) ALDH1A1HSD17B10KDM4ECYP1A2HPGD
Pirfenidone SCHEMBL4708 0.80 KDM4E (1.00) ALDH1A1HSD17B10KDM4ECYP1A2HPGD
Pirfenidone SCHEMBL1006039 0.80 KDM4E (1.00) ALDH1A1HSD17B10KDM4ECYP1A2HPGD
SCHEMBL30827652 0.79 CYP11B2 (0.47) ALDH1A1CYP2A6CYP2E1CYP3A4EP300
SCHEMBL27250688 0.79 KDM4E (0.56) ALDH1A1HSD17B10KDM4ECYP1A2HPGD
SCHEMBL15713999 0.79 EP300 (0.46) ALDH1A1HSD17B10KDM4ECYP1A2HPGD
Pirfenidone SCHEMBL28532042 0.78 KDM4E (0.96) ALDH1A1HSD17B10KDM4ECYP1A2HPGD
Pirfenidone SCHEMBL22492268 0.78 KDM4E (0.96) ALDH1A1HSD17B10KDM4ECYP1A2HPGD
Pirfenidone SCHEMBL28079090 0.78 KDM4E (0.96) ALDH1A1HSD17B10KDM4ECYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866656-B1 USE OF N-SUBSTITUTED PYRIDONES AS TUMOR NECROSIS FACTOR ALPHA INHIBITORS MARGOLIN SOLOMON B (US) 2007-04-25 EP claimed
EP-1261338-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR INC (US) 2006-06-14 EP claimed
EP-1069898-B1 TOPICAL ANTISEPTIC COMPOSITIONS AND METHODS MARGOLIN SOLOMON B (US) 2004-05-12 EP claimed
EP-0813409-B1 TREATMENT OF CYTOKINE GROWTH FACTOR CAUSED DISORDERS MARGOLIN SOLOMON B (US) 2004-05-06 EP claimed
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS UNIVERSITY OF MINNESOTA (US) 2012-01-19 US disclosed
US-20110218515-A1 Methods for Treating Acute Myocardial Infarctions and Associated Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-08 US disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 US disclosed
US-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 US disclosed
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 US disclosed
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-23 US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 US disclosed
EP-1261338-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR INC (US) 2006-06-14 EP disclosed
US-6956044-B1 Compositions and methods for treatment of epilepsy INTERMUNE, INC. 2005-10-18 US disclosed
US-4052509-A 5-METHYL-1-PHENYL-2-(1H)-PYRIDONE AFFILIATED MEDICAL RESEARCH, INC. (US) 1977-10-04 US disclosed
US-4042699-A 5-METHYL-1-PHENYL-2-(1H)-PYRIDONE AFFILIATED MEDICAL RESEARCH, INC. (US) 1977-08-16 US disclosed
US-3974281-A ANALGESICS, ANTI-PYRETIC AND ANTI-INFLAMMATORY AGENTS AFFILIATED MEDICAL RESEARCH, INC. (US) 1976-08-10 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 (6 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-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ALDH1A1 2109/4885HSD17B10 2478/4885KDM4E 616/4885
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 ALDH1A1 2054/4885HSD17B10 2915/4885KDM4E 3381/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ALDH1A1 2109/4885HSD17B10 2478/4885KDM4E 616/4885
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ALDH1A1 2109/4885HSD17B10 2478/4885KDM4E 616/4885
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 ALDH1A1 358/4885HSD17B10 1369/4885KDM4E 1668/4885
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ALDH1A1 2109/4885HSD17B10 2478/4885KDM4E 616/4885

“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.