SCHEMBL9940136

SCHEMBL9940136

Cn1c(-c2cc(N3C[C@@H](CO)[C@@H](CCO)C3)ncc2Cl)nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMO Q99835 9/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.35

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
SCHEMBL12841524 0.95 MEN1 (0.42) PDE10AMEN1KMT2ASMOKDM4E
SCHEMBL9932115 0.95 MEN1 (0.42) PDE10AMEN1KMT2ASMOKDM4E
SCHEMBL9968375 0.94 MEN1 (0.40) PDE10AMEN1KMT2ASMOKDM4E
SCHEMBL9968345 0.91 MEN1 (0.39) PDE10AMEN1KMT2ASMOKDM4E
SCHEMBL9968363 0.85 MEN1 (0.45) PDE10AMEN1KMT2AKDM4E
SCHEMBL9931884 0.84 MEN1 (0.44) PDE10AMEN1KMT2ASMOKDM4E
SCHEMBL9932899 0.84 MEN1 (0.44) PDE10AMEN1KMT2ASMOKDM4E
SCHEMBL9932029 0.84 MEN1 (0.44) PDE10AMEN1KMT2ASMOKDM4E
SCHEMBL9932557 0.82 SMO (0.43) PDE10AMEN1KMT2ASMO
SCHEMBL9968412 0.82 MEN1 (0.47) PDE10AMEN1KMT2ASMOKDM4E

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 PDE10A 1879/4885MEN1 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.