SCHEMBL9968445

SCHEMBL9968445

C=C1OC2(CCN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)CC2)CN1C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMO Q99835 13/20 0.52
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDE10A Q9Y233 3/20 0.35
BRD4 O60885 1/20 0.33
DRD4 P21917 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL9932498 0.90 SMO (0.65) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9968438 0.86 SMO (0.52) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9968346 0.84 SMO (0.40) SMOMEN1KMT2APDE10ADRD4
SCHEMBL9932531 0.83 MEN1 (0.43) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9931969 0.82 SMO (0.65) SMOKMT2AKDM4ENPC1RAB9A
SCHEMBL9931789 0.82 PTPN11 (0.43) SMOMEN1KMT2A
SCHEMBL9968459 0.82 MEN1 (0.42) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9932576 0.80 BRD4 (0.47) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9968342 0.80 SMO (0.41) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9968319 0.80 MEN1 (0.46) 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.