SCHEMBL9968433

SCHEMBL9968433

COC(=O)NC1CCN(c2cc(-c3nc4ccccc4n3C)c(F)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 12/20 0.52
CKS1B P61024 4/20 0.41
SKP1 P63208 4/20 0.41
SKP2 Q13309 4/20 0.41
PDE10A Q9Y233 1/20 0.41
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 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
SCHEMBL1533932 0.92 SMO (0.43) SMOCKS1BSKP1SKP2TP53
SCHEMBL9968523 0.91 CKS1B (0.52) SMOCKS1BSKP1SKP2PDE10A
SCHEMBL9932747 0.91 SMO (0.51) SMOCKS1BSKP1SKP2OPRM1
SCHEMBL12841340 0.90 AOC3 (0.44) SMOCKS1BSKP1SKP2TP53
SCHEMBL9968331 0.89 SMO (0.64) SMO
SCHEMBL9932565 0.89 SMO (0.41) SMOCKS1BSKP1SKP2TP53
SCHEMBL9932426 0.87 FASN (0.49) SMOCKS1BSKP1SKP2TP53
SCHEMBL9968509 0.84 SMO (0.57) SMOPDE10A
SCHEMBL9968432 0.84 SMO (0.56) SMOOPRM1OPRD1OPRK1OGFRL1
SCHEMBL9932562 0.83 SMO (0.49) 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 3 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
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 1/4885CKS1B 187/4885SKP1 720/4885

“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.