SCHEMBL9932498

SCHEMBL9932498

CN1CC2(CCN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)CC2)OC1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 10/20 0.65
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
BRD4 O60885 2/20 0.36
CRBN Q96SW2 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HCRTR1 O43613 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 1/20 0.35
HBB P68871 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL9968445 0.90 SMO (0.52) SMOKDM4ENPC1RAB9AMEN1
SCHEMBL9931969 0.85 SMO (0.65) SMOKDM4ENPC1RAB9AKMT2A
SCHEMBL9932316 0.83 CYP11B1 (0.45) SMOKDM4ENPC1RAB9AMEN1
SCHEMBL9968438 0.82 SMO (0.52) SMOKDM4ENPC1RAB9AMEN1
SCHEMBL9932531 0.82 MEN1 (0.43) SMOKDM4ENPC1RAB9AMEN1
SCHEMBL9931789 0.81 PTPN11 (0.43) SMOMEN1KMT2A
SCHEMBL9968459 0.81 MEN1 (0.42) SMOKDM4ENPC1RAB9AMEN1
SCHEMBL9932576 0.80 BRD4 (0.47) SMOKDM4ENPC1RAB9AMEN1
SCHEMBL9968342 0.80 SMO (0.41) SMOKDM4ENPC1RAB9AMEN1
SCHEMBL9968319 0.80 MEN1 (0.46) SMOKDM4ENPC1RAB9AMEN1

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 1/4885KDM4E 258/4885NPC1 3570/4885

“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.