SCHEMBL8003107

SCHEMBL8003107

Cn1c(-c2ccccn2)nc(-c2ccc(S(C)(=O)=O)nc2)c1Sc1ccc(F)c(F)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.78
GRM5 P41594 1/20 0.41
DHFR P00374 1/20 0.39
PTGS2 P35354 3/20 0.39
PTGS1 P23219 1/20 0.38
RAB9A P51151 4/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
NPC1 O15118 3/20 0.33
TGFBR1 P36897 2/20 0.33
PIK3CD O00329 1/20 0.33
PIP5K1C O60331 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL8006312 0.88 FAAH (1.00) FAAHGRM5PTGS2PTGS1CA12
SCHEMBL12106766 0.85 FAAH (0.67) FAAHPTGS2PTGS1RAB9AALDH1A1
SCHEMBL7993150 0.83 FAAH (0.54) FAAHGRM5DHFRPTGS2RAB9A
SCHEMBL1304003 0.81 FAAH (0.80) FAAHGRM5PTGS2PTGS1CA12
SCHEMBL12106770 0.79 FAAH (0.68) FAAHPTGS2PTGS1RAB9AALDH1A1
SCHEMBL8002857 0.78 FAAH (0.48) FAAHGRM5DHFRRAB9AALDH1A1
SCHEMBL12106327 0.76 FAAH (0.79) FAAHGRM5PTGS2PTGS1CA12
SCHEMBL7993064 0.74 FAAH (0.76) FAAHGRM5RAB9AALDH1A1KDM4E
SCHEMBL1302433 0.72 FAAH (0.72) FAAHGRM5RAB9AALDH1A1NPC1
SCHEMBL1429881 0.72 FAAH (0.72) FAAHGRM5PTGS2PTGS1ALDH1A1

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-8455528-B2 Imidazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455528-B2 Imidazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-11-03 US disclosed
US-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-11-03 US disclosed
WO-2009152025-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 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 (1 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-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HNMT FAAH 1/4885GRM5 786/4885DHFR 1448/4885

“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.