SCHEMBL9931938

SCHEMBL9931938

Cn1c(-c2cc(N3CCC(CNC(=O)O)C3)ncc2Cl)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 13/20 0.44
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
FAAH O00519 1/20 0.40
EPHX2 P34913 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39

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
SCHEMBL9932413 0.93 PDE10A (0.41) SMOTP53ALDH1A1
SCHEMBL9932464 0.89 AURKA (0.41) SMOTP53RXFP1AURKAAURKB
SCHEMBL9931786 0.89 CKS1B (0.50) SMOAURKAAURKBCKS1BSKP1
SCHEMBL9932557 0.87 SMO (0.43) SMO
SCHEMBL9968369 0.86 SMO (0.44) SMO
SCHEMBL9932788 0.85 SMO (0.48) SMO
SCHEMBL9932685 0.83 SMO (0.54) SMO
SCHEMBL9932796 0.83 SMO (0.47) SMOFAAHEPHX2
SCHEMBL9932181 0.82 SMO (0.47) SMO
SCHEMBL9931559 0.82 SMO (0.47) 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 1/4885TP53 323/4885RXFP1 94/4885

“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.