SCHEMBL4454128

SCHEMBL4454128

Cc1cc(NC(=O)N2CCCN2C(=O)Nc2ccc(Cl)cc2)ccc1N1CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
F10 P00742 5/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MOGAT2 Q3SYC2 1/20 0.40
F2 P00734 1/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4442842 0.90 F10 (0.42) TP53F10MAPTSMN1; SMN2HTT
SCHEMBL4448125 0.85 F10 (0.54) F10
SCHEMBL4446443 0.79 MAPT (0.53) TP53F10MAPTSMN1; SMN2HTT
SCHEMBL4446309 0.77 F10 (0.45) TP53F10MAPTSMN1; SMN2RAB9A
SCHEMBL4446662 0.75 F10 (0.54) F10
SCHEMBL4454046 0.74 F10 (0.51) F10MAPTSMN1; SMN2HTTLMNA
SCHEMBL6376255 0.74 F10 (0.47) F10HTTF2LMNA
SCHEMBL6376260 0.74 F10 (0.47) F10HTTF2LMNA
SCHEMBL1377368 0.74 ALDH1A1 (0.49) TP53F10MAPTHTTGAA
SCHEMBL4456773 0.73 F10 (0.50) F10EPHX2

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 TP53 1240/4885F10 7/4885MAPT 4742/4885

“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.