SCHEMBL9932469

SCHEMBL9932469

Cn1c(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ccc2Cl)nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMO Q99835 18/20 0.63
KCNH2 Q12809 1/20 0.47
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OGFRL1 Q5TC84 1/20 0.45

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
SCHEMBL9932490 0.90 SMO (0.56) SMOKCNH2OPRM1OPRD1OPRK1
SCHEMBL9932472 0.85 SMO (0.66) SMOKCNH2OPRM1OPRD1OPRK1
SCHEMBL9931165 0.84 CKS1B (0.50) SMOOPRM1OPRD1OPRK1OGFRL1
SCHEMBL9968416 0.83 TSHR (0.43) SMO
SCHEMBL9932626 0.83 HSD11B1 (0.48) SMO
SCHEMBL9932543 0.82 SMO (0.45) SMO
SCHEMBL1533867 0.82 SMO (0.62) SMOKCNH2
SCHEMBL9968414 0.81 HSD11B1 (0.47) SMO
SCHEMBL9968315 0.80 SMO (0.58) SMOKCNH2OPRM1OPRD1OPRK1
SCHEMBL9968420 0.80 HTR3A (0.51)

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 1/4885KCNH2 705/4885OPRM1 4174/4885

“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.