SCHEMBL10059403

SCHEMBL10059403

O=c1ccc(C(F)F)cn1-c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.43
KAT2B Q92831 1/20 0.43
HTT P42858 2/20 0.41
TLR8 Q9NR97 1/20 0.40
CYP2A6 P11509 4/20 0.39
PTGS2 P35354 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2E1 P05181 2/20 0.38
ELANE P08246 1/20 0.38
CREBBP Q92793 1/20 0.38
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AR P10275 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL10059402 0.82 CHKA (0.37) EP300KAT2BPTGS2CREBBPHSD17B10
SCHEMBL140076 0.82 ALDH1A1 (0.55) EP300KAT2BHTTPTGS2CYP3A4
SCHEMBL15713999 0.79 EP300 (0.46) EP300KAT2BHTTTLR8CYP2A6
SCHEMBL10059406 0.78 KDM4E (0.40) PTGS2HSD17B10KDM4EALDH1A1CYP1A2
SCHEMBL10059405 0.78 KDM4E (0.39) PTGS2ELANEHSD17B10KDM4EALDH1A1
SCHEMBL30827652 0.76 CYP11B2 (0.47) EP300KAT2BHTTCYP2A6CYP3A4
SCHEMBL3972355 0.76 ALDH1A1 (0.66) EP300KAT2BHTTTLR8CYP2A6
SCHEMBL10079090 0.75 TRPV1 (0.44) EP300KAT2BHTTTLR8CYP2A6
SCHEMBL10078776 0.72 ALDH1A1 (0.41) HTTPTGS2ELANEHSD17B10GAA
SCHEMBL30977158 0.72 ALDH1A1 (0.51) EP300KAT2BHTTTLR8CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
EP-2296653-B1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE INC (US) 2016-01-27 EP disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 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-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 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-20110218515-A1 Methods for Treating Acute Myocardial Infarctions and Associated Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-08 US disclosed
WO-2010135470-A1 PIFENIDONE DERIVATIVES FOR TREATING BRONCHIAL ASTHMA INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2010132864-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS INTERMUNE, INC. (US) 2010-11-18 WO disclosed
US-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. 2010-07-29 US disclosed
US-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. 2010-07-29 US disclosed
WO-2010085805-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. (US) 2010-07-29 WO disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
WO-2009149188-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-10 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 (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-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS TNNI3, FABP3, TNNT2 EP300 377/4885KAT2B 1367/4885HTT 4777/4885
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 EP300 86/4885KAT2B 2069/4885HTT 4512/4885
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 EP300 86/4885KAT2B 2069/4885HTT 4512/4885
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 EP300 64/4885KAT2B 818/4885HTT 4188/4885

“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.