SCHEMBL10140129

SCHEMBL10140129

CCN(CC)C(=O)Oc1c(-c2ccc(Cn3cccn3)cc2)nn(C)c1-c1nc2cc(/C(N)=N\O)ccc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.34
HDAC6 Q9UBN7 2/20 0.34
CHEK2 O96017 8/20 0.34
BRPF1 P55201 1/20 0.33
KLKB1 P03952 3/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
NAMPT P43490 1/20 0.33
HDAC2 Q92769 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL10140128 0.92 F10 (0.34) HDAC1HDAC6CHEK2BRPF1KLKB1
SCHEMBL16258916 0.89 NOS3 (0.34) HDAC1HDAC6CHEK2BRPF1KLKB1
SCHEMBL10140005 0.83 PTGDR2 (0.33) HDAC1HDAC6KLKB1PTGDR2HDAC2
SCHEMBL16258969 0.80 F10 (0.35) KLKB1NOS3NOS1
SCHEMBL10140130 0.77 HDAC3 (0.43) HDAC1HDAC6CHEK2HDAC2HDAC3
SCHEMBL7972893 0.76 F10 (0.37) CHEK2KLKB1
SCHEMBL7960639 0.75 F10 (0.38) HDAC1HDAC6KLKB1NOS3NOS1
SCHEMBL10140125 0.75 MEN1 (0.39) CHEK2
SCHEMBL10139992 0.74 CHEK2 (0.50) CHEK2
SCHEMBL7971691 0.72 CHEK2 (0.40) HDAC1HDAC6CHEK2BRPF1HDAC2

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 HDAC1 238/4885HDAC6 265/4885CHEK2 4794/4885

“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.