SCHEMBL1303133

SCHEMBL1303133

Cn1c(-c2ccccn2)nc(-c2ccc(I)cc2)c1Sc1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.69
GRM5 P41594 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
PPP1CA P62136 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
DCTPP1 Q9H773 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPK13 O15264 1/20 0.36
GCGR P47871 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7993064 0.94 FAAH (0.76) FAAHGRM5SMN1; SMN2GAALMNA
SCHEMBL8008392 0.91 FAAH (0.57) FAAHGRM5SMN1; SMN2GAALMNA
SCHEMBL8008516 0.91 FAAH (0.71) FAAHGRM5SMN1; SMN2GAALMNA
SCHEMBL1303678 0.89 FAAH (0.69) FAAHGRM5SMN1; SMN2GAALMNA
SCHEMBL1303197 0.89 FAAH (0.69) FAAHGRM5SMN1; SMN2GAALMNA
SCHEMBL1304298 0.87 FAAH (0.67) FAAHGRM5SMN1; SMN2GAALMNA
SCHEMBL7994178 0.86 FAAH (0.66) FAAHGRM5SMN1; SMN2GAALMNA
SCHEMBL12106327 0.85 FAAH (0.79) FAAHGRM5KCNH2
SCHEMBL1303131 0.85 FAAH (0.67) FAAHGRM5SMN1; SMN2GAALMNA
SCHEMBL12106805 0.85 FAAH (0.65) FAAHGRM5SMN1; SMN2GAALMNA

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 10 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 claimed
US-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-11-03 US claimed
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-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
US-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-11-03 US disclosed
EP-2300438-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH Merck Sharp & Dohme Corp. (US) 2011-03-30 EP 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 786/4885SMN1; SMN2 730/4885

“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.