SCHEMBL10140050

SCHEMBL10140050

Cn1nc(-c2ccc(N3CCOCC3=O)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.41
TOP1 P11387 2/20 0.36
TOP2A P11388 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
PTGS2 P35354 2/20 0.35

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
SCHEMBL12758112 0.91 TOP1 (0.36) F10TOP1TOP2AALDH1A1HPGD
SCHEMBL7971008 0.89 TNKS (0.45) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL10140048 0.88 F10 (0.38) F10TOP1TOP2AALDH1A1HPGD
SCHEMBL10140047 0.87 F10 (0.40) F10TOP1TOP2AALDH1A1HPGD
SCHEMBL7966289 0.86 F10 (0.39) F10TOP1TOP2AALDH1A1HPGD
SCHEMBL7972871 0.85 TOP1 (0.36) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL10140052 0.85 TOP1 (0.36) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL10140061 0.83 F10 (0.48) F10SIRT2SIRT1
SCHEMBL7970581 0.81 F9 (0.40) F10TOP1TOP2AALDH1A1HPGD
SCHEMBL7961555 0.81 HDAC3 (0.46) ALDH1A1HPGDHSD17B10

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 F10 11/4885TOP1 4007/4885TOP2A 3805/4885

“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.