SCHEMBL10139999

SCHEMBL10139999

Cn1nc(-c2ccc(CN3CCOCC3)cc2)c(O)c1-c1nc2ccc(C(=N)N)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.54
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
F10 P00742 8/20 0.49
F9 P00740 3/20 0.49
F11 P03951 3/20 0.49
F7 P08709 3/20 0.44
PLAU P00749 6/20 0.44
F2 P00734 5/20 0.44
PRSS1 P07477 5/20 0.44
PLG P00747 5/20 0.44
PLAT P00750 3/20 0.44
CHEK2 O96017 3/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43

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
SCHEMBL7970994 0.92 HDAC6 (0.59) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7975109 0.83 HDAC6 (0.56) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7960525 0.83 F10 (0.56) F10F9F11F7PLAU
SCHEMBL10140012 0.83 F10 (0.56) F10F9F11F7PLAU
SCHEMBL7961555 0.82 HDAC3 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL10140061 0.82 F10 (0.48) F10F9F11F7PLAU
SCHEMBL10140002 0.82 F10 (0.49) F10F9F11F7PLAU
SCHEMBL7975521 0.81 F10 (0.63) F10F9F11F7PLAU
SCHEMBL7969986 0.81 F10 (0.58) F10F9F11F7PLAU
SCHEMBL10140008 0.80 F10 (0.57) F10F9F11F7PLAU

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 HDAC6 265/4885HDAC3 60/4885HDAC1 238/4885

“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.