SCHEMBL9932112

SCHEMBL9932112

Cn1c(-c2cc(N3CCC4(CCCC(=O)N4)CC3)ncc2Cl)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMO Q99835 10/20 0.40
CRBN Q96SW2 1/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PDCD1LG2 Q9BQ51 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BRD4 O60885 1/20 0.35
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
KCNH2 Q12809 1/20 0.35
LTC4S Q16873 1/20 0.35
CDK9 P50750 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
SCHEMBL9968459 0.82 MEN1 (0.42) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL12841520 0.81 SMO (0.44) SMOCRBNCYP11B1CYP11B2PDCD1LG2
SCHEMBL9932531 0.81 MEN1 (0.43) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9933504 0.81 KDM4E (0.41) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9968319 0.81 MEN1 (0.46) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9931789 0.80 PTPN11 (0.43) SMOMEN1KMT2A
SCHEMBL9971221 0.79 SMO (0.38) SMOCRBNMEN1KMT2AKDM4E
SCHEMBL9932601 0.79 ADRB1 (0.44) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9931969 0.79 SMO (0.65) SMOCYP11B2PDCD1LG2CD274KMT2A
SCHEMBL9932316 0.79 CYP11B1 (0.45) SMOCRBNCYP11B1CYP11B2MEN1

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 SMO 1/4885CRBN 395/4885CYP11B1 1338/4885

“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.