SCHEMBL9968528

SCHEMBL9968528

Cc1cnc(N2CCC(CS(C)(=O)=O)CC2)cc1-c1nc2ccccc2n1C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMO Q99835 14/20 0.55
HSD11B1 P28845 2/20 0.41
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL9968439 0.93 SMO (0.47) SMOHSD11B1ALDH1A1LMNAGAA
SCHEMBL9931497 0.91 SMO (0.62) SMOHSD11B1
SCHEMBL9931931 0.87 SMO (0.49) SMOHSD11B1KDM4ENPC1RAB9A
SCHEMBL9968436 0.85 SMO (0.55) SMO
SCHEMBL9968310 0.83 SMO (0.46) SMOHSD11B1ALDH1A1LMNAGAA
SCHEMBL9932025 0.83 SMO (0.51) SMOHSD11B1ALDH1A1LMNAGAA
SCHEMBL9932026 0.82 SMO (0.60) SMOHSD11B1
SCHEMBL9933194 0.81 SMO (0.50) SMOHSD11B1
SCHEMBL9931535 0.78 SMO (0.68) SMO
SCHEMBL9933043 0.78 SMO (0.57) SMOHSD11B1

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 1/4885HSD11B1 3610/4885ALDH1A1 503/4885

“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.