SCHEMBL9968336

SCHEMBL9968336

C[C@@H]1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)C[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMO Q99835 14/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE10A Q9Y233 3/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37

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
SCHEMBL9968365 1.00 SMO (0.43) SMOMEN1KMT2APDE10AMKNK1
SCHEMBL9968386 0.93 PDE10A (0.43) SMOMEN1KMT2APDE10A
SCHEMBL9968385 0.93 PDE10A (0.43) SMOMEN1KMT2APDE10A
SCHEMBL9932900 0.92 SMO (0.42) SMOMEN1KMT2APDE10AMKNK1
SCHEMBL9931954 0.92 SMO (0.42) SMOMEN1KMT2APDE10AMKNK1
SCHEMBL9931559 0.91 SMO (0.47) SMOMEN1KMT2APDE10AMKNK1
SCHEMBL9932181 0.91 SMO (0.47) SMOMEN1KMT2APDE10AMKNK1
SCHEMBL9932138 0.89 SMO (0.54) SMOMEN1KMT2APDE10A
SCHEMBL9932899 0.89 MEN1 (0.44) SMOMEN1KMT2APDE10A
SCHEMBL9931884 0.89 MEN1 (0.44) SMOMEN1KMT2APDE10A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US 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 1/4885MEN1 1168/4885KMT2A 310/4885

“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.