SCHEMBL4449787

SCHEMBL4449787

O=C(Nc1ccc(Cl)cc1)N1CCCN1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
ALOX5 P09917 1/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
GAA P10253 2/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL11668917 0.95 LMNA (0.49) LMNANPC1RAB9ATDP1TAS1R3
SCHEMBL13787488 0.83 POLB (0.61) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL38658697 0.81 POLB (0.51) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL10671305 0.79 KMT2A (0.62) NPC1RAB9ATDP1MAPTTP53
SCHEMBL38656601 0.79 KLK5 (0.46) RAB9ATDP1MAPTSMN1; SMN2GAA
SCHEMBL654537 0.79 POLB (0.69) LMNANPC1RAB9ATDP1TAS1R3
SCHEMBL6109583 0.79 POLB (0.59) LMNANPC1RAB9AMAPTTP53
SCHEMBL9764217 0.78 SMN1; SMN2 (0.62) LMNANPC1RAB9ATDP1SMN1; SMN2
SCHEMBL4954488 0.77 POLB (0.58) LMNANPC1RAB9AMAPTTP53
SCHEMBL8888670 0.77 SMN1; SMN2 (0.54) LMNANPC1RAB9ATDP1TAS1R3

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 disclosed
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 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
EP-1608645-A1 PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES MERCK PATENT GmbH (DE) 2005-12-28 EP disclosed
WO-2004087696-A1 PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES MERCK PATENT GMBH (DE) 2004-10-14 WO 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 LMNA 2227/4885NPC1 3630/4885RAB9A 2327/4885

“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.