SCHEMBL336037

SCHEMBL336037

Nc1nccc2ccc(NC(=O)C(O)C(NC(=O)c3ccc(N4CCCC4)nc3)c3ccccc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.46
KLKB1 P03952 4/20 0.40
KLK1 P06870 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
HDAC2 Q92769 2/20 0.38
HDAC3 O15379 1/20 0.38
KCNH2 Q12809 1/20 0.38
HDAC1 Q13547 3/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AURKB Q96GD4 1/20 0.37
EIF2S1 P05198 1/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.36
F9 P00740 2/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
PTPN11 Q06124 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL335746 0.93 F10 (0.46) F10KLKB1KLK1KCNQ3KCNQ2
SCHEMBL335945 0.90 F10 (0.56) F10TRPV1KCNQ2F9MAPT
SCHEMBL335778 0.83 F10 (0.55) F10HDAC2HDAC3HDAC1AURKA
SCHEMBL335437 0.81 F10 (0.46) F10HDAC2HDAC3HDAC1EIF2S1
SCHEMBL335901 0.81 F10 (0.47) F10AURKAF9ROCK2ROCK1
SCHEMBL335037 0.81 F9 (0.55) F10TRPV1F9
SCHEMBL334986 0.78 MAPT (0.44) F10AURKARPS6KB1AURKBF9
SCHEMBL336483 0.77 F9 (0.54) F10F9ROCK2ROCK1
SCHEMBL27562531 0.76 F10 (0.53) F10HDAC2HDAC3HDAC1AURKA
SCHEMBL335786 0.75 F9 (0.51) F10F9ROCK2ROCK1

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-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP claimed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US claimed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US claimed
CN-101516834-A Isoserine derivatives for use as coagulation factor ixa inhibitors SANOFI AVENTIS (FR) 2009-08-26 CN claimed
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP disclosed
CN-1359423-A Herbicide resistant plants HINZENTA CO LTD (GB) 2002-07-17 CN 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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 F10 9/4885KLKB1 1062/4885KLK1 2453/4885

“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.