SCHEMBL335372

SCHEMBL335372

CCN(CC)c1ccc(C(=O)NC(c2ccc(Br)cc2)C(O)C(=O)Nc2ccc3c(N)nccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 7/20 0.43
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESRRG P62508 1/20 0.39
F7 P08709 5/20 0.38
F3 P13726 2/20 0.38
F10 P00742 1/20 0.38
F11 P03951 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CNR2 P34972 1/20 0.37
LRRK2 Q5S007 1/20 0.36
KLKB1 P03952 2/20 0.36
KLK1 P06870 2/20 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
SCHEMBL335988 0.93 F9 (0.44) F9MAPTESRRGF7F3
SCHEMBL27580398 0.92 F9 (0.37) F9MAPTNPC1TSHRMAPK1
SCHEMBL336042 0.92 F9 (0.48) F9MAPTSMN1; SMN2ESRRGF7
SCHEMBL335293 0.92 F9 (0.48) F9MAPTSMN1; SMN2ESRRGF7
SCHEMBL336900 0.91 F9 (0.47) F9MAPTNPC1TSHRMAPK1
SCHEMBL336152 0.91 F9 (0.46) F9MAPTESRRGF7F3
SCHEMBL335401 0.89 F9 (0.45) F9NPC1RAB9AF7F3
SCHEMBL335384 0.88 F9 (0.47) F9F7F3F10F11
SCHEMBL335731 0.87 F9 (0.47) F9MAPTESRRGF7F3
SCHEMBL335167 0.86 F9 (0.44) F9MAPTNPC1MAPK1RAB9A

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 3/4885MAPT 3998/4885NPC1 2621/4885

“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.