SCHEMBL9932718

SCHEMBL9932718

Cn1c(-c2cc(N3CCC(OCCO)CC3)ncc2Cl)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMO Q99835 16/20 0.47
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PDE10A Q9Y233 2/20 0.39
PDE2A O00408 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
SCHEMBL9968354 0.92 SMO (0.48) SMO
SCHEMBL9931923 0.85 SMO (0.55) SMO
SCHEMBL9932138 0.85 SMO (0.54) SMOPDE10A
SCHEMBL9968442 0.84 SMO (0.44) SMO
SCHEMBL9932876 0.84 SMO (0.53) SMO
SCHEMBL9931837 0.84 SMO (0.43) SMO
SCHEMBL9968324 0.83 MEN1 (0.44) SMO
SCHEMBL9932414 0.83 KDM4E (0.47) SMO
SCHEMBL12841515 0.83 MKNK1 (0.46) SMO
SCHEMBL9932557 0.82 SMO (0.43) SMOPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
WO-2011027249-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2011-03-10 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 SMO 1/4885PIK3CA 2003/4885MTOR 1216/4885

“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.