SCHEMBL7966321

SCHEMBL7966321

COc1cccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
BRD4 O60885 1/20 0.40
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DHODH Q02127 1/20 0.38
FGFR1 P11362 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 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
SCHEMBL10139980 0.92 SMPD3 (0.37) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL10139977 0.92 NPC1 (0.40) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7960195 0.90 DHODH (0.42) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7962296 0.89 NPBWR1 (0.36) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7972135 0.89 PDE10A (0.37) NPC1RAB9ASMN1; SMN2POLBHSD17B10
SCHEMBL7971392 0.87 SCD (0.42) KDM4EALDH1A1BRD4TP53HPGD
SCHEMBL7971418 0.87 SCD (0.42) DHODHFGFR1
SCHEMBL7971678 0.87 NPC1 (0.43) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7971018 0.86 HSD17B10 (0.37) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7973155 0.85 F9 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2BRD4

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 400/4885KDM4E 1387/4885

“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.