SCHEMBL335746

SCHEMBL335746

Nc1nccc2ccc(NC(=O)C(O)C(NC(=O)c3ccc(N4CCOCC4)nc3)c3ccccc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.46
ATR Q13535 1/20 0.43
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
IKBKE Q14164 1/20 0.41

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
SCHEMBL336037 0.93 F10 (0.46) F10KLKB1KLK1KCNQ3KCNQ2
SCHEMBL335778 0.91 F10 (0.55) F10ATRPSEN1PSEN2APH1B
SCHEMBL335945 0.84 F10 (0.56) F10KCNQ2MAPTSMN1; SMN2HTT
SCHEMBL27562531 0.83 F10 (0.53) F10ATRLMNAMAPK1HDAC10
SCHEMBL335437 0.80 F10 (0.46) F10MAPTSMN1; SMN2CYP2C19HDAC3
SCHEMBL335901 0.79 F10 (0.47) F10
SCHEMBL335037 0.79 F9 (0.55) F10LMNAMAPK1RAB9A
SCHEMBL334986 0.76 MAPT (0.44) F10MAPTSMN1; SMN2RAB9A
SCHEMBL336483 0.76 F9 (0.54) F10LMNA
SCHEMBL27562528 0.75 F10 (0.53) F10ATRKLKB1MAPTSMN1; SMN2

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
EP-2069289-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS Sanofi-Aventis (FR) 2009-06-17 EP claimed
WO-2008031509-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI-AVENTIS (FR) 2008-03-20 WO claimed
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP 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 9/4885ATR 3500/4885KLKB1 1062/4885

“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.