SCHEMBL9932496

SCHEMBL9932496

Cn1c(-c2cc(N3CCN(C4CCS(=O)(=O)C4)CC3)ncc2Cl)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
SMO Q99835 12/20 0.40
TSHR P16473 1/20 0.38
HSD11B1 P28845 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
LRRK2 Q5S007 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL9968359 0.91 SMO (0.39) SMOHSD11B1MEN1KMT2A
SCHEMBL9932494 0.90 SMO (0.37) SMOHSD11B1MEN1KMT2A
SCHEMBL9933103 0.85 ACVR1 (0.43) SMOMEN1KMT2A
SCHEMBL9932695 0.85 MEN1 (0.43) SMOHSD11B1MEN1KMT2A
SCHEMBL9968358 0.81 MEN1 (0.41) SMOHSD11B1MEN1KMT2A
SCHEMBL9968379 0.81 SMO (0.40) SMOTSHRMEN1KMT2A
SCHEMBL9968324 0.80 MEN1 (0.44) SMOTSHRMEN1KMT2A
SCHEMBL9932735 0.80 SMO (0.49) SMOMEN1KMT2A
SCHEMBL9932631 0.80 SMO (0.59) SMOHSD11B1MEN1KMT2A
SCHEMBL12841515 0.79 MKNK1 (0.46) SMOTSHRMEN1KMT2A

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 DGAT1 4642/4885SMO 1/4885TSHR 219/4885

“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.