SCHEMBL7969389

SCHEMBL7969389

Cn1nc(-c2ccc(N3Cc4ccccc4C3=O)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
PKM P14618 3/20 0.41
KDM4E B2RXH2 2/20 0.38
TP53 P04637 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
PGR P06401 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.37
DRD1 P21728 1/20 0.37
HTT P42858 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL7975114 0.84 F9 (0.42) NPC1RAB9APKMKDM4ETP53
SCHEMBL7972344 0.83 SMN1; SMN2 (0.41) NPC1RAB9APKMKDM4ESMN1; SMN2
SCHEMBL7972135 0.83 PDE10A (0.37) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10140053 0.83 F10 (0.36) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10140052 0.83 TOP1 (0.36) SMN1; SMN2CCNA2CDK2ALDH1A1HSD17B10
SCHEMBL7972871 0.83 TOP1 (0.36) SMN1; SMN2CYP2D6CYP2C19CYP3A4HTR1A
SCHEMBL7971018 0.83 HSD17B10 (0.37) NPC1RAB9AKDM4ETP53SMN1; SMN2
SCHEMBL12758112 0.82 TOP1 (0.36) SMN1; SMN2CCNA2CDK2ALDH1A1HSD17B10
SCHEMBL10140048 0.82 F10 (0.38) SMN1; SMN2LMNAHTTALDH1A1TSHR
SCHEMBL7970792 0.82 HPGD (0.37) NPC1RAB9AKDM4ESMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
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
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO 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 NPC1 1029/4885RAB9A 400/4885PKM 3158/4885

“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.