SCHEMBL8006312

SCHEMBL8006312

Cn1c(-c2ccccn2)nc(-c2ccc(S(C)(=O)=O)nc2)c1Sc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 1.00
PTGS2 P35354 5/20 0.41
PTGS1 P23219 1/20 0.41
GRM5 P41594 3/20 0.41
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
PPP1CA P62136 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NOD2 Q9HC29 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
TGFBR1 P36897 1/20 0.35
DCTPP1 Q9H773 1/20 0.34
SMO Q99835 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
SCHEMBL1304003 0.89 FAAH (0.80) FAAHPTGS2PTGS1GRM5KCNH2
SCHEMBL12106327 0.88 FAAH (0.79) FAAHPTGS2PTGS1GRM5KCNH2
SCHEMBL8003107 0.88 FAAH (0.78) FAAHPTGS2PTGS1GRM5KCNH2
SCHEMBL7993064 0.87 FAAH (0.76) FAAHGRM5KCNH2SMN1; SMN2LMNA
SCHEMBL1302433 0.84 FAAH (0.72) FAAHGRM5SMN1; SMN2LMNAPOLB
SCHEMBL1429881 0.83 FAAH (0.72) FAAHPTGS2PTGS1GRM5SMN1; SMN2
SCHEMBL8008516 0.83 FAAH (0.71) FAAHGRM5KCNH2SMN1; SMN2LMNA
SCHEMBL1302607 0.83 FAAH (0.70) FAAHPTGS2GRM5SMN1; SMN2LMNA
SCHEMBL1429632 0.82 FAAH (0.70) FAAHPTGS2PTGS1GRM5SMN1; SMN2
SCHEMBL1304088 0.82 FAAH (0.69) FAAHPTGS2PTGS1GRM5KCNH2

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.