SCHEMBL334809

SCHEMBL334809

Nc1nc2ccc(NC(=O)C(O)C(NC(=O)c3ccc(C4CCCCC4)cc3)c3ccccc3)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.45
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ABL1 P00519 1/20 0.40
FABP6 P51161 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DEGS1 O15121 1/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ACP1 P24666 1/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL336367 0.87 MAPT (0.47) ABL1FABP6MAPTSMN1; SMN2KDM4E
SCHEMBL335948 0.86 ABL1 (0.45) DGAT1ABL1FABP6HDAC3HDAC8
SCHEMBL335878 0.85 ABL1 (0.43) ABL1FABP6HDAC3HDAC8HDAC6
SCHEMBL335105 0.85 MAPT (0.44) ABL1FABP6MAPTSMN1; SMN2KDM4E
SCHEMBL4122037 0.84 CYP2D6 (0.52) DGAT1CYP2D6CYP2C9ABL1FABP6
SCHEMBL335576 0.84 ABL1 (0.43) ABL1FABP6MAPTSMN1; SMN2KDM4E
SCHEMBL336586 0.84 GRIN1 (0.44) ABL1FABP6ACP1F9F7
SCHEMBL8219489 0.84 F9 (0.43) DGAT1ABL1FABP6HDAC6MAPT
SCHEMBL335390 0.84 ABL1 (0.44) CYP2D6CYP2C9ABL1FABP6MAPT
SCHEMBL336448 0.83 TYMS (0.45) ABL1FABP6MAPTACP1F9

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 8 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
CN-101516834-A Isoserine derivatives for use as coagulation factor ixa inhibitors SANOFI AVENTIS (FR) 2009-08-26 CN 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
CN-1359423-A Herbicide resistant plants HINZENTA CO LTD (GB) 2002-07-17 CN 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 DGAT1 1853/4885CYP2D6 2324/4885CYP2C9 680/4885

“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.