SCHEMBL9968442

SCHEMBL9968442

CC(=O)OC1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 18/20 0.44
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
RAB9A P51151 1/20 0.40
CASP7 P55210 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9931837 0.92 SMO (0.43) SMO
SCHEMBL9932796 0.86 SMO (0.47) SMO
SCHEMBL9932138 0.85 SMO (0.54) SMO
SCHEMBL9931939 0.85 SMO (0.62) SMO
SCHEMBL1533952 0.85 SMO (0.48) SMOSMN1; SMN2
SCHEMBL9931786 0.85 CKS1B (0.50) SMO
SCHEMBL9932718 0.84 SMO (0.47) SMO
SCHEMBL9931923 0.84 SMO (0.55) SMO
SCHEMBL9968324 0.84 MEN1 (0.44) SMOKDM4E
SCHEMBL9932685 0.84 SMO (0.54) SMO

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 1/4885KDM4E 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.