SCHEMBL335897

SCHEMBL335897

CCN(CC)c1ccc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.50
F7 P08709 6/20 0.45
F2 P00734 3/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
F10 P00742 1/20 0.44
HPN P05981 2/20 0.44
PLAU P00749 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43

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
SCHEMBL334986 0.82 MAPT (0.44) CNR2F7NPC1RAB9AMEN1
SCHEMBL336042 0.80 F9 (0.48) CNR2F7F2F10F9
SCHEMBL335293 0.80 F9 (0.48) CNR2F7F2F10F9
SCHEMBL335484 0.80 MAPT (0.43) CNR2F7F9MAPTSMN1; SMN2
SCHEMBL335151 0.80 NPC1 (0.48) CNR2NPC1RAB9AMEN1KMT2A
SCHEMBL336126 0.75 LMNA (0.48) F2MEN1KMT2AF10HDAC3
SCHEMBL335731 0.72 F9 (0.47) F7F10F9MAPT
SCHEMBL335988 0.72 F9 (0.44) CNR2F7F2MEN1KMT2A
SCHEMBL335968 0.72 MAPT (0.41) CNR2F7RAB9AMEN1KMT2A
SCHEMBL337002 0.72 MAPT (0.41) CNR2F7HDAC3HDAC1HDAC2

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 5 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
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 CNR2 3688/4885F7 6/4885F2 2/4885

“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.