SCHEMBL8006548

SCHEMBL8006548

Cn1c(-c2ccc(F)cc2)nc(-c2ccc(C#N)cc2)c1Sc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MAPK13 O15264 3/20 0.45
GCGR P47871 3/20 0.45
MAPK12 P53778 3/20 0.45
MAPK11 Q15759 3/20 0.45
MAPK14 Q16539 3/20 0.45
FAAH O00519 2/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX5 P09917 2/20 0.38
KCNH2 Q12809 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 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
SCHEMBL1302719 0.90 FAAH (0.50) MAOAMAOBMAPK13MAPK12MAPK11
SCHEMBL12106073 0.89 FAAH (0.46) MAOAMAOBMAPK13GCGRMAPK12
SCHEMBL12106886 0.83 FAAH (0.48) MAOAMAOBFAAHCNR1ALDH1A1
SCHEMBL1304298 0.82 FAAH (0.67) MAOAMAOBMAPK13MAPK12MAPK11
SCHEMBL8006327 0.82 GAA (0.52) MAOAMAOBFAAHALDH1A1NPSR1
SCHEMBL1303791 0.81 MAOA (0.50) MAOAMAOBFAAHCNR1CNR2
SCHEMBL1304302 0.81 FAAH (0.44) MAOAMAOBFAAHCNR1ALDH1A1
SCHEMBL8005254 0.80 FAAH (0.55) MAOAMAOBFAAHCNR1ALDH1A1
SCHEMBL1303162 0.79 FAAH (0.45) MAOAMAOBFAAHCNR1ALDH1A1
SCHEMBL12106878 0.79 FAAH (0.44) MAOAMAOBFAAHCNR1ALDH1A1

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 MAOA 61/4885MAOB 106/4885MAPK13 2798/4885

“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.