SCHEMBL9932316

SCHEMBL9932316

CN1CC2(CCN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)CC2)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
SMO Q99835 11/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LRRK2 Q5S007 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CRBN Q96SW2 1/20 0.36
BRD4 O60885 1/20 0.34

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
SCHEMBL9968346 0.89 SMO (0.40) CYP11B1CYP11B2SMOMEN1KMT2A
SCHEMBL12841520 0.85 SMO (0.44) CYP11B1CYP11B2SMOMEN1KMT2A
SCHEMBL9932498 0.83 SMO (0.65) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9932531 0.83 MEN1 (0.43) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9931789 0.82 PTPN11 (0.43) SMOMEN1KMT2A
SCHEMBL9968459 0.82 MEN1 (0.42) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9932468 0.82 PIM1 (0.45) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9968319 0.80 MEN1 (0.46) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9968445 0.80 SMO (0.52) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9933199 0.79 PTPN11 (0.44) SMOMEN1KMT2AKDM4E

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 3 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
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 CYP11B1 1338/4885CYP11B2 1556/4885SMO 1/4885

“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.