SCHEMBL9932181

SCHEMBL9932181

Cn1c(-c2cc(N3CC[C@@H](O)C3)ncc2Cl)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMO Q99835 10/20 0.47
TACR1 P25103 3/20 0.43
TACR3 P29371 3/20 0.43
PDE10A Q9Y233 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCNT1 O60563 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 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
SCHEMBL9931559 1.00 SMO (0.47) SMOTACR1TACR3PDE10AMEN1
SCHEMBL9932138 0.94 SMO (0.54) SMOPDE10AMEN1KMT2ACCNT1
SCHEMBL9932029 0.92 MEN1 (0.44) SMOPDE10AMEN1KMT2A
SCHEMBL9968336 0.91 SMO (0.43) SMOPDE10AMEN1KMT2AMKNK1
SCHEMBL9968365 0.91 SMO (0.43) SMOPDE10AMEN1KMT2AMKNK1
SCHEMBL9931954 0.91 SMO (0.42) SMOPDE10AMEN1KMT2AMKNK1
SCHEMBL9932900 0.91 SMO (0.42) SMOPDE10AMEN1KMT2AMKNK1
SCHEMBL9968326 0.89 MEN1 (0.42) SMOPDE10AMEN1KMT2AMKNK1
SCHEMBL9968325 0.89 MEN1 (0.42) SMOPDE10AMEN1KMT2AMKNK1
SCHEMBL9932735 0.88 SMO (0.49) SMOPDE10AMEN1KMT2ACCNT1

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 1/4885TACR1 733/4885TACR3 1315/4885

“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.