SCHEMBL9968408

SCHEMBL9968408

C=C(C)N1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)[C@H](C)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMO Q99835 8/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PDE10A Q9Y233 2/20 0.37
TRPV1 Q8NER1 1/20 0.35
CYP2C9 P11712 1/20 0.34
FPR2 P25090 1/20 0.34
SORD Q00796 1/20 0.34
KDR P35968 1/20 0.34
PLK1 P53350 1/20 0.34
PTK2 Q05397 1/20 0.34
AURKB Q96GD4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9968457 1.00 SMO (0.38) SMOMEN1KMT2APDE10ATRPV1
SCHEMBL9931946 0.91 SMO (0.43) SMOMEN1KMT2A
SCHEMBL9931427 0.91 SMO (0.43) SMOMEN1KMT2A
SCHEMBL12841512 0.91 SMO (0.43) SMOMEN1KMT2A
SCHEMBL9968300 0.85 SMO (0.47) SMOMEN1KMT2A
SCHEMBL9968396 0.83 CXCR3 (0.40) SMOMEN1KMT2APDE10ATRPV1
SCHEMBL9968405 0.83 CXCR3 (0.40) SMOMEN1KMT2APDE10ATRPV1
SCHEMBL9968395 0.82 SMO (0.39) SMOMEN1KMT2APDE10ATRPV1
SCHEMBL9968441 0.82 SMO (0.39) SMOMEN1KMT2APDE10ATRPV1
SCHEMBL9932004 0.82 SMO (0.43) SMOMEN1KMT2APDE10A

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 1/4885MEN1 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.