SCHEMBL4448202

SCHEMBL4448202

C#Cc1ccc(NC(=O)N2CC(OC(=O)CC3CCCCC3)CN2C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.44
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL4446691 0.88 F10 (0.45) F10ALDH1A1CNR1CNR2
SCHEMBL4448108 0.84 F10 (0.46) F10
SCHEMBL4446410 0.83 F10 (0.50) F10
SCHEMBL4450640 0.83 F10 (0.50) F10
SCHEMBL4446412 0.83 F10 (0.50) F10
SCHEMBL4450787 0.82 F10 (0.50) F10
SCHEMBL4449759 0.80 HPGD (0.45) F10ALDH1A1MEN1KMT2AMAPT
SCHEMBL4446475 0.79 F10 (0.44) F10ALDH1A1MAPT
SCHEMBL5956864 0.77 MEN1 (0.52) F10ALDH1A1MEN1GAAKMT2A
SCHEMBL4446415 0.77 F10 (0.46) F10ALDH1A1

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
US-7557102-B2 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor Xa inhibitors for the treatment of thromboses MERCK PATENT GMBH (DE) 2009-07-07 US claimed
EP-1608645-B1 PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES MERCK PATENT GMBH (DE) 2007-05-02 EP claimed
US-20060183742-A1 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor xa inhibitors for the treatment of thromboses MERCK PATENT GMBH (DE) 2006-08-17 US claimed
US-7557102-B2 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor Xa inhibitors for the treatment of thromboses MERCK PATENT GMBH (DE) 2009-07-07 US disclosed
US-20060183742-A1 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor xa inhibitors for the treatment of thromboses MERCK PATENT GMBH (DE) 2006-08-17 US 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-20060183742-A1 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor xa inhibitors for the treatment of thromboses F2, SERPINC1, F12 F10 7/4885ALDH1A1 512/4885MEN1 514/4885

“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.