SCHEMBL9968396

SCHEMBL9968396

C=C(C)N1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)C[C@H]1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMO Q99835 7/20 0.38
PDE10A Q9Y233 2/20 0.37
HSD11B1 P28845 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
GRM1 Q13255 2/20 0.35
DRD4 P21917 1/20 0.35
GRM2 Q14416 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
SCHEMBL9968405 1.00 CXCR3 (0.40) CXCR3MEN1KMT2ASMOPDE10A
SCHEMBL9932918 0.92 SMO (0.43) CXCR3MEN1KMT2ASMOHSD11B1
SCHEMBL9931928 0.92 SMO (0.43) CXCR3MEN1KMT2ASMOHSD11B1
SCHEMBL9968300 0.85 SMO (0.47) MEN1KMT2ASMO
SCHEMBL9968393 0.85 HSD11B1 (0.41) MEN1KMT2ASMOPDE10AHSD11B1
SCHEMBL9968407 0.85 HSD11B1 (0.41) MEN1KMT2ASMOPDE10AHSD11B1
SCHEMBL9932666 0.84 SMO (0.43) MEN1KMT2ASMOHSD11B1
SCHEMBL9932782 0.84 SMO (0.43) MEN1KMT2ASMOHSD11B1
SCHEMBL9968457 0.83 SMO (0.38) MEN1KMT2ASMOPDE10ATRPV1
SCHEMBL9968408 0.83 SMO (0.38) MEN1KMT2ASMOPDE10ATRPV1

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 CXCR3 1743/4885MEN1 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.