SCHEMBL335576

SCHEMBL335576

Nc1nc2ccc(NC(=O)C(O)C(NC(=O)c3ccc(Cc4ccccc4)cc3)c3ccccc3)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
FABP6 P51161 1/20 0.43
DHFR P00374 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACP1 P24666 1/20 0.40
F9 P00740 1/20 0.40
F7 P08709 1/20 0.40
TYMS P04818 5/20 0.39
F2 P00734 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL335501 0.92 NPC1 (0.43) ABL1FABP6DHFRSMN1; SMN2NPC1
SCHEMBL336367 0.91 MAPT (0.47) ABL1FABP6DHFRSMN1; SMN2POLB
SCHEMBL336039 0.91 DHFR (0.41) ABL1FABP6DHFRACP1F9
SCHEMBL336014 0.91 ABL1 (0.41) ABL1FABP6DHFRGRIN1GRIN2B
SCHEMBL335948 0.90 ABL1 (0.45) ABL1FABP6SMN1; SMN2POLBKDM4E
SCHEMBL335909 0.89 HDAC3 (0.43) ABL1FABP6DHFRF9F7
SCHEMBL335878 0.89 ABL1 (0.43) ABL1FABP6SMN1; SMN2POLBACP1
SCHEMBL8219489 0.88 F9 (0.43) ABL1FABP6SMN1; SMN2RAB9AACP1
SCHEMBL336586 0.88 GRIN1 (0.44) ABL1FABP6GRIN1GRIN2BACP1
SCHEMBL335390 0.88 ABL1 (0.44) ABL1FABP6SMN1; SMN2POLBKDM4E

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 ABL1 2660/4885FABP6 3044/4885DHFR 430/4885

“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.