SCHEMBL9968356

SCHEMBL9968356

Cn1c(-c2cc(N3CCC(O)(CN4CCCCC4)CC3)ncc2Cl)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE2A O00408 2/20 0.41
SMO Q99835 10/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM2 Q14416 4/20 0.36
DRD4 P21917 3/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 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
SCHEMBL9933062 0.91 PDE2A (0.42) KDM4EALDH1A1HPGDHSD17B10PDE2A
SCHEMBL9933199 0.88 PTPN11 (0.44) KDM4EPDE2ASMOMEN1KMT2A
SCHEMBL9968340 0.88 MEN1 (0.40) KDM4ESMOMEN1KMT2AGRM2
SCHEMBL9968319 0.86 MEN1 (0.46) KDM4ENPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL9932379 0.85 PDE10A (0.39) SMO
SCHEMBL9931789 0.85 PTPN11 (0.43) SMOMEN1KMT2A
SCHEMBL9932531 0.82 MEN1 (0.43) KDM4ENPC1CYP2C9RAB9ASMN1; SMN2
SCHEMBL9968459 0.81 MEN1 (0.42) KDM4ENPC1CYP2C9RAB9ASMN1; SMN2
SCHEMBL9932304 0.81 PDE10A (0.38) SMO
SCHEMBL12841368 0.80 MEN1 (0.34) KDM4ECYP2C9SMOMEN1KMT2A

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 KDM4E 258/4885NPC1 3570/4885ALDH1A1 503/4885

“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.