SCHEMBL9932381

SCHEMBL9932381

Cn1c(-c2cc(N3CCC3NC(=O)O)ncc2Cl)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMO Q99835 14/20 0.41
FAAH O00519 1/20 0.40
EPHX2 P34913 1/20 0.40
CYP2C9 P11712 1/20 0.40
ERG P11308 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE10A Q9Y233 1/20 0.39
HPGD P15428 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
SCHEMBL9932685 0.87 SMO (0.54) SMO
SCHEMBL9932788 0.85 SMO (0.48) SMO
SCHEMBL9932950 0.84 CYP2C9 (0.41) SMOCYP2C9MEN1KMT2APDE10A
SCHEMBL9932946 0.84 CYP2C9 (0.41) SMOCYP2C9MEN1KMT2APDE10A
SCHEMBL9932948 0.84 CYP2C9 (0.41) SMOCYP2C9MEN1KMT2APDE10A
SCHEMBL9932796 0.83 SMO (0.47) SMOFAAHEPHX2
SCHEMBL1533952 0.82 SMO (0.48) SMOMEN1KMT2A
SCHEMBL9931939 0.82 SMO (0.62) SMO
SCHEMBL9931877 0.81 SMO (0.56) SMO
SCHEMBL9932514 0.81 SMO (0.56) SMO

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 SMO 1/4885FAAH 4865/4885EPHX2 3141/4885

“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.