SCHEMBL336088

SCHEMBL336088

Nc1nc2ccc(NC(=O)C(O)(Cl)C(c3ccccc3)N(Cc3ccccc3)C(=O)O)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
FABP6 P51161 1/20 0.39
ACP1 P24666 1/20 0.39
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F7 P08709 3/20 0.37
F3 P13726 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 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
SCHEMBL335393 0.79 ACP1 (0.42) ABL1FABP6ACP1GRIN1GRIN2B
SCHEMBL4121901 0.74 ABL1 (0.52) ABL1FABP6ACP1SMN1; SMN2KDM4E
SCHEMBL336087 0.71 NR2E3 (0.41) ABL1FABP6ACP1ALDH1A1F7
SCHEMBL11212351 0.70 ABL1 (0.63) ABL1FABP6SMN1; SMN2NPC1POLB
SCHEMBL335576 0.69 ABL1 (0.43) ABL1FABP6ACP1GRIN1GRIN2B
SCHEMBL4105726 0.69 GRIN1 (0.53) ABL1FABP6GRIN1GRIN2BSMN1; SMN2
SCHEMBL4113425 0.69 HTR3E (0.54) ABL1FABP6SMN1; SMN2KDM4EALDH1A1
SCHEMBL4123591 0.69 ACP1 (0.48) ABL1FABP6ACP1SMN1; SMN2KDM4E
SCHEMBL4109421 0.69 ACP1 (0.48) ABL1FABP6ACP1SMN1; SMN2KDM4E
SCHEMBL4117739 0.69 MAPT (0.49) ABL1FABP6SMN1; SMN2KDM4EALDH1A1

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 ABL1 2660/4885FABP6 3044/4885ACP1 1423/4885

“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.