SCHEMBL9968327

SCHEMBL9968327

C=C(C)N1CCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GRM2 Q14416 1/20 0.43
SMO Q99835 3/20 0.42
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAD52 P43351 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
SCHEMBL9932266 0.90 MEN1 (0.58) MEN1KMT2AGRM2KDM4ENPC1
SCHEMBL9932291 0.89 MEN1 (0.48) MEN1KMT2AGRM2SMOHDAC1
SCHEMBL9932455 0.85 ITGB2 (0.49) MEN1KMT2ASMOKDM4EALDH1A1
SCHEMBL9932994 0.84 MEN1 (0.46) MEN1KMT2AGRM2SMOKDM4E
SCHEMBL9932684 0.84 ALDH1A1 (0.46) MEN1KMT2AGRM2SMOKDM4E
SCHEMBL9968330 0.84 MEN1 (0.55) MEN1KMT2AGRM2KDM4ENPC1
SCHEMBL9968309 0.84 MEN1 (0.55) MEN1KMT2AGRM2KDM4ENPC1
SCHEMBL9931742 0.82 MEN1 (0.50) MEN1KMT2AGRM2SMOKDM4E
SCHEMBL9968482 0.82 MEN1 (0.52) MEN1KMT2AGRM2KDM4ENPC1
SCHEMBL9932662 0.81 ITGB2 (0.44) MEN1KMT2AGRM2SMOKDM4E

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 MEN1 1168/4885KMT2A 310/4885GRM2 4393/4885

“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.