SCHEMBL8005646

SCHEMBL8005646

COc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)c(Sc3ccc(Cl)cc3)n2C)cn1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.56
PTGS2 P35354 13/20 0.52
PTGS1 P23219 2/20 0.52
KCNH2 Q12809 3/20 0.46
BRD4 O60885 2/20 0.42
BRD2 P25440 2/20 0.42
BRD3 Q15059 2/20 0.42
CREBBP Q92793 1/20 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
SCHEMBL12106068 0.88 FAAH (0.58) FAAHPTGS2PTGS1KCNH2
SCHEMBL12106019 0.83 FAAH (0.62) FAAHPTGS2PTGS1KCNH2
SCHEMBL12106262 0.82 FAAH (0.58) FAAHPTGS2PTGS1KCNH2
SCHEMBL1302731 0.82 FAAH (0.53) FAAHPTGS2PTGS1KCNH2
SCHEMBL1303953 0.81 FAAH (0.55) FAAHPTGS2PTGS1KCNH2
SCHEMBL8005584 0.81 FAAH (0.52) FAAHPTGS2PTGS1KCNH2
SCHEMBL12106256 0.80 FAAH (0.64) FAAHPTGS2PTGS1KCNH2
SCHEMBL12106051 0.80 FAAH (0.54) FAAHPTGS2PTGS1KCNH2
SCHEMBL12106327 0.79 FAAH (0.79) FAAHPTGS2PTGS1KCNH2
SCHEMBL12106873 0.78 FAAH (0.54) FAAHPTGS2PTGS1KCNH2

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 1/4885PTGS2 41/4885PTGS1 14/4885

“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.