SCHEMBL10140455

SCHEMBL10140455

[C-]#[N+]c1ccc2nc(-c3c(O)c(-c4ccc(Cl)cc4)nn3C)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 3/20 0.44
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
TP53 P04637 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
SNCA P37840 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MCL1 Q07820 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41

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
SCHEMBL10140793 0.89 F9 (0.41) MEN1ALDH1A1HPGDKMT2AKDM4E
SCHEMBL7960334 0.84 MEN1 (0.62) AMY1AMEN1ALDH1A1HPGDKMT2A
SCHEMBL10139878 0.81 CHEK2 (0.65) MEN1KMT2AMAPTSIRT2SIRT1
SCHEMBL10140703 0.81 CA12 (0.39) ALDH1A1KDM4ETP53MAPTNPC1
SCHEMBL7971481 0.81 HIF1A (0.46) AMY1AMEN1ALDH1A1HPGDKMT2A
SCHEMBL10140720 0.81 PDPK1 (0.39) MEN1ALDH1A1HPGDKMT2AKDM4E
SCHEMBL7971500 0.81 PTGDR2 (0.49) AMY1AMEN1ALDH1A1HPGDKMT2A
SCHEMBL10139883 0.80 CHEK2 (0.65) MEN1KMT2ACHEK2
SCHEMBL10140767 0.80 NPC1 (0.43) AMY1AMEN1ALDH1A1KMT2AKDM4E
SCHEMBL10140741 0.79 KDM4E (0.42) ALDH1A1HPGDKDM4EHSD17B10MAPT

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 AMY1A 1255/4885MEN1 994/4885ALDH1A1 1022/4885

“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.