SCHEMBL9968438

SCHEMBL9968438

C=C1NCC2(CCN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)CC2)O1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMO Q99835 15/20 0.52
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN11 Q06124 1/20 0.37
CDK8 P49336 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL9931969 0.90 SMO (0.65) SMOKMT2APTPN11CDK8CDK19
SCHEMBL9968445 0.86 SMO (0.52) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9931789 0.83 PTPN11 (0.43) SMOMEN1KMT2APTPN11
SCHEMBL9932498 0.82 SMO (0.65) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9932531 0.82 MEN1 (0.43) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9968459 0.81 MEN1 (0.42) SMOMEN1KMT2APTPN11KDM4E
SCHEMBL12841520 0.80 SMO (0.44) SMOMEN1KMT2APTPN11CDK8
SCHEMBL9968332 0.80 MEN1 (0.42) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9932601 0.80 ADRB1 (0.44) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9932576 0.80 BRD4 (0.47) SMOMEN1KMT2AKDM4ENPC1

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.