SCHEMBL7973095

SCHEMBL7973095

Cn1nc(-c2ccc(-c3ccc(O)c(O)c3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
AMY1A P0DUB6 2/20 0.34
GUSB P08236 3/20 0.34
TOP1 P11387 2/20 0.34
TOP2A P11388 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHEK1 O14757 1/20 0.32
JAK3 P52333 1/20 0.32
F9 P00740 1/20 0.32
F10 P00742 1/20 0.32
F11 P03951 1/20 0.32
TSSK1B Q9BXA7 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL7973155 0.91 F9 (0.39) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7972135 0.90 PDE10A (0.37) SMN1; SMN2HSD17B10F9F10F11
SCHEMBL7970581 0.89 F9 (0.40) GUSBTOP1TOP2AALDH1A1HPGD
SCHEMBL7971397 0.89 ALDH1A1 (0.39) GAATOP1TOP2AALDH1A1HPGD
SCHEMBL10139961 0.89 GUSB (0.39) GAAAMY1AGUSBALDH1A1HPGD
SCHEMBL7970061 0.89 GUSB (0.39) AMY1AGUSBTOP1TOP2AALDH1A1
SCHEMBL7960814 0.89 NPC1 (0.39) GAAGUSBTOP1TOP2AALDH1A1
SCHEMBL7970587 0.89 TOP1 (0.34) AMY1AGUSBTOP1TOP2AALDH1A1
SCHEMBL7962296 0.88 NPBWR1 (0.36) DHODHGUSBALDH1A1HPGDSMN1; SMN2
SCHEMBL7965824 0.88 SIRT2 (0.37) AMY1AGUSBTOP1TOP2AALDH1A1

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 DHODH 538/4885MGAM 2033/4885GAA 554/4885

“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.