SCHEMBL10059841

SCHEMBL10059841

O=c1ccc(-c2ccc(CO)cc2)cn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.44
GRM2 Q14416 1/20 0.43
SCN5A Q14524 7/20 0.41
PPARA Q07869 2/20 0.41
PPARD Q03181 1/20 0.41
PDE10A Q9Y233 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
PLA2G4A P47712 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
BRD4 O60885 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
PPARG P37231 1/20 0.38
FAAH O00519 1/20 0.37
EPHX2 P34913 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 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
SCHEMBL10059870 0.87 ABL1 (0.49) MCHR1PDE10APLA2G4ABRD4
SCHEMBL10059500 0.84 HRH3 (0.48) MCHR1SCN5APDE10AHRH3POLB
SCHEMBL10059811 0.84 PDE10A (0.54) MCHR1SCN5APDE10AHRH3SCN1A
SCHEMBL10059887 0.83 SCN5A (0.44) MCHR1GRM2SCN5APDE10AL3MBTL1
SCHEMBL10079102 0.83 MCHR1 (0.47) MCHR1GRM2SCN5APDE10AHRH3
SCHEMBL10059526 0.82 PDE10A (0.47) MCHR1SCN5APDE10APOLBL3MBTL1
SCHEMBL8027367 0.80 PPARA (0.49) GRM2PPARAPPARGFAAHEPHX2
SCHEMBL10079836 0.79 PTGS2 (0.54) SCN5A
SCHEMBL10059520 0.78 CHRM5 (0.44) SCN5APDE10APOLBL3MBTL1SCN1A
SCHEMBL10059857 0.78 KDM4E (0.49) HRH3FAAH

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 5 patents. 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 MCHR1 4566/4885GRM2 3308/4885SCN5A 4118/4885
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 MCHR1 4074/4885GRM2 4635/4885SCN5A 4046/4885

“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.