SCHEMBL9968313

SCHEMBL9968313

Cn1c(-c2ccnc(N3CCC(N4CCCC4=O)CC3)c2)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
HRH1 P35367 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LTA4H P09960 4/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RET P07949 2/20 0.38
PDE10A Q9Y233 1/20 0.37
GRM2 Q14416 1/20 0.37
KCNH2 Q12809 4/20 0.37
PKM P14618 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL9940107 0.84 MEN1 (0.41) MEN1KMT2ALTA4HALDH1A1KDM4E
SCHEMBL9933101 0.83 CYP2D6 (0.45) CYP2D6HRH1MEN1KMT2ALTA4H
SCHEMBL9968316 0.82 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4ECA1
SCHEMBL9932266 0.81 MEN1 (0.58) MEN1KMT2AALDH1A1KDM4ECA1
SCHEMBL9931742 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL9968309 0.80 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4ECA1
SCHEMBL9968330 0.80 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4ECA1
SCHEMBL9968480 0.79 LRRK2 (0.47) MEN1KMT2AALDH1A1KDM4ECA1
SCHEMBL9968314 0.79 CKS1B (0.50) MEN1KMT2APDE10ASMOOPRD1
SCHEMBL9968308 0.78 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4ECA1

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 CYP2D6 4121/4885HRH1 145/4885MEN1 1168/4885

“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.