SCHEMBL9932782

SCHEMBL9932782

C[C@@H]1CN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CCN1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 10/20 0.43
HSD11B1 P28845 3/20 0.42
RECQL P46063 1/20 0.41
TACR1 P25103 1/20 0.40
TACR3 P29371 1/20 0.40
LRRK2 Q5S007 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9932666 1.00 SMO (0.43) SMOHSD11B1RECQLTACR1TACR3
SCHEMBL9968407 0.93 HSD11B1 (0.41) SMOHSD11B1MEN1KMT2A
SCHEMBL9968393 0.93 HSD11B1 (0.41) SMOHSD11B1MEN1KMT2A
SCHEMBL9931928 0.85 SMO (0.43) SMOHSD11B1SUV39H2MEN1KMT2A
SCHEMBL9932918 0.85 SMO (0.43) SMOHSD11B1SUV39H2MEN1KMT2A
SCHEMBL9932631 0.85 SMO (0.59) SMOHSD11B1ALDH1A1MEN1KMT2A
SCHEMBL9968396 0.84 CXCR3 (0.40) SMOHSD11B1MEN1KMT2A
SCHEMBL9968405 0.84 CXCR3 (0.40) SMOHSD11B1MEN1KMT2A
SCHEMBL9932524 0.83 SMO (0.51) SMOHSD11B1
SCHEMBL9932004 0.82 SMO (0.43) SMOHSD11B1SUV39H2MEN1KMT2A

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 1/4885HSD11B1 3610/4885RECQL 680/4885

“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.