SCHEMBL336586

SCHEMBL336586

Nc1nc2ccc(NC(=O)C(O)C(NC(=O)c3ccc(Oc4ccccc4)cc3)c3ccccc3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
KDR P35968 3/20 0.44
TEK Q02763 3/20 0.44
ABL1 P00519 1/20 0.43
FABP6 P51161 1/20 0.43
CHEK2 O96017 4/20 0.42
ACP1 P24666 1/20 0.40
F9 P00740 1/20 0.40
F7 P08709 1/20 0.40

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
SCHEMBL334843 0.92 KDR (0.45) KDRABL1FABP6F9F7
SCHEMBL336367 0.91 MAPT (0.47) ABL1FABP6CHEK2ACP1F9
SCHEMBL335420 0.91 NPC1 (0.46) ABL1FABP6F9F7
SCHEMBL335948 0.90 ABL1 (0.45) ABL1FABP6CHEK2ACP1F9
SCHEMBL335396 0.90 F7 (0.44) CHEK2F9F7
SCHEMBL335916 0.90 MTOR (0.46) KDRTEKABL1FABP6CHEK2
SCHEMBL335390 0.89 ABL1 (0.44) ABL1FABP6CHEK2ACP1F9
SCHEMBL335878 0.89 ABL1 (0.43) ABL1FABP6ACP1F9F7
SCHEMBL335500 0.88 F9 (0.44) KDRABL1FABP6F9F7
SCHEMBL15282241 0.88 GRIN1 (0.40) GRIN1GRIN2BKDRTEKABL1

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 GRIN1 1588/4885GRIN2B 1927/4885KDR 4305/4885

“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.