SCHEMBL336900

SCHEMBL336900

CCN(CC)c1ccc(C(=O)NC(c2cccc(Br)c2)C(O)C(=O)Nc2ccc3c(N)nccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 7/20 0.47
F7 P08709 6/20 0.41
F3 P13726 4/20 0.41
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESRRG P62508 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
F10 P00742 3/20 0.37
F11 P03951 3/20 0.37

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
SCHEMBL335731 0.92 F9 (0.47) F9F7F3AURKARPS6KB1
SCHEMBL335372 0.91 F9 (0.43) F9F7F3MAPTNPC1
SCHEMBL336042 0.91 F9 (0.48) F9F7F3AURKARPS6KB1
SCHEMBL335293 0.91 F9 (0.48) F9F7F3AURKARPS6KB1
SCHEMBL335516 0.90 F9 (0.49) F9F7F3MAPTSMN1; SMN2
SCHEMBL336541 0.89 ALDH1A1 (0.47) F9F7F3MAPTNPC1
SCHEMBL335882 0.88 F9 (0.50) F9F7F3NPC1RAB9A
SCHEMBL335988 0.87 F9 (0.44) F9F7F3MAPTESRRG
SCHEMBL335167 0.86 F9 (0.44) F9F7F3MAPTNPC1
SCHEMBL336152 0.85 F9 (0.46) F9F7F3MAPTESRRG

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 3 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

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 F9 3/4885F7 6/4885F3 18/4885

“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.