SCHEMBL10139799

SCHEMBL10139799

COc1ccc2nc(-c3c(OC)c(-c4ccccc4)nn3C)[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.65
RAB9A P51151 6/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 5/20 0.65
TP53 P04637 4/20 0.65
HPGD P15428 4/20 0.65
TSHR P16473 2/20 0.65
NFKB1 P19838 2/20 0.65
NFKB2 Q00653 2/20 0.65
RELA Q04206 2/20 0.65
HSD17B10 Q99714 2/20 0.65
PKM P14618 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 3/20 0.53
MEN1 O00255 2/20 0.53
HTT P42858 1/20 0.53
RUNX1 Q01196 1/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 3/20 0.49

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
SCHEMBL7966178 0.91 NPC1 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7982191 0.90 P2RY6 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7961586 0.85 CHEK2 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10140405 0.84 CHEK2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7960793 0.83 KDM4E (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7966206 0.83 CHEK2 (0.61)
SCHEMBL7970762 0.82 AMY1A (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7959385 0.81 CHEK2 (0.57) SMN1; SMN2TP53MAPTCYP3A4
SCHEMBL10139875 0.81 HDAC6 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7959879 0.81 KDM4E (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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 6 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

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 400/4885SMN1; SMN2 3004/4885

“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.