SCHEMBL10140665

SCHEMBL10140665

[C-]#[N+]c1ccc2nc(N3CCN(c4ccccc4)C3=O)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
NPY5R Q15761 7/20 0.43
ADRA1A P35348 5/20 0.43
KCNH2 Q12809 2/20 0.41
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
ALKBH3 Q96Q83 4/20 0.36
MAPT P10636 1/20 0.36
AURKA O14965 2/20 0.36
KDM4E B2RXH2 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 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
SCHEMBL7969172 0.83 NPC1 (0.53) MEN1NPC1RAB9AKMT2ANPY5R
SCHEMBL7962507 0.83 NPY5R (0.60) MEN1NPC1RAB9AKMT2ANPY5R
SCHEMBL7973223 0.80 NPY5R (0.62) NPY5RADRA1AKCNH2ALKBH3
SCHEMBL7970001 0.80 GFER (0.56) MEN1NPC1RAB9AKMT2ANPY5R
SCHEMBL7962503 0.80 NPY5R (0.52) MEN1NPC1RAB9AKMT2ANPY5R
SCHEMBL7973969 0.79 CHEK2 (0.57) NPY5R
SCHEMBL7976233 0.78 PRSS1 (0.52) NPY5R
SCHEMBL3791087 0.76 NPC1 (0.47) MEN1NPC1RAB9AKMT2ANPY5R
SCHEMBL7973178 0.74 NPY5R (0.56) MEN1KMT2ANPY5RMAPTKDM4E
SCHEMBL3787151 0.73 MEN1 (0.44) MEN1NPC1RAB9AKMT2ANPY5R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 MEN1 994/4885NPC1 1029/4885RAB9A 400/4885

“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.