SCHEMBL10079102

SCHEMBL10079102

COc1ccc(-c2ccc(=O)n(-c3ccc(OC(F)(F)F)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
SCN5A Q14524 7/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PDE10A Q9Y233 1/20 0.42
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
POLB P06746 1/20 0.41
KIF11 P52732 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
GRM2 Q14416 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL16474688 0.88 MEN1 (0.47) L3MBTL1POLBHRH3BRD4
SCHEMBL12333538 0.87 BRD4 (0.59) MCHR1PDE10APTGS2BRD4
SCHEMBL10059811 0.87 PDE10A (0.54) MCHR1SCN5APDE10AHRH3SCN1A
SCHEMBL10059500 0.87 HRH3 (0.48) MCHR1SCN5AL3MBTL1PDE10APTGS2
SCHEMBL10059887 0.86 SCN5A (0.44) MCHR1SCN5AL3MBTL1PDE10APTGS2
SCHEMBL10059526 0.85 PDE10A (0.47) MCHR1SCN5AL3MBTL1PDE10APTGS2
SCHEMBL10059918 0.84 HRH3 (0.53) PTGS2PTGS1HRH3
SCHEMBL16474689 0.84 HRH3 (0.53) PTGS2PTGS1HRH3
SCHEMBL10059841 0.83 MCHR1 (0.44) MCHR1SCN5AL3MBTL1PDE10APOLB
SCHEMBL10059808 0.82 MAPT (0.51) HRH3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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 MCHR1 3961/4885SCN5A 2056/4885L3MBTL1 2413/4885
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 MCHR1 4566/4885SCN5A 4118/4885L3MBTL1 3675/4885
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 MCHR1 4566/4885SCN5A 4118/4885L3MBTL1 3675/4885
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 MCHR1 4074/4885SCN5A 4046/4885L3MBTL1 2063/4885

“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.