SCHEMBL4454287

SCHEMBL4454287

O=C1COCCN1c1ccc(NC(=O)N2CCCN2C(=O)O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.51
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL4454046 0.92 F10 (0.51) F10TSHRALDH1A1HPGDLMNA
SCHEMBL4447292 0.87 F10 (0.47) F10TSHRALDH1A1HPGDLMNA
SCHEMBL4449727 0.82 F10 (0.51) F10TSHRALDH1A1HPGDLMNA
SCHEMBL4456773 0.82 F10 (0.50) F10
SCHEMBL4448125 0.82 F10 (0.54) F10
SCHEMBL4447306 0.81 F10 (0.55) F10LMNASMN1; SMN2HTTMAPT
SCHEMBL5541908 0.81 F10 (0.49) F10TSHRALDH1A1HPGDLMNA
SCHEMBL4452304 0.77 F10 (0.46) F10TSHRALDH1A1HPGDLMNA
SCHEMBL4444452 0.77 F10 (0.46) F10TSHRALDH1A1HPGDLMNA
SCHEMBL4444453 0.77 F10 (0.46) F10TSHRALDH1A1HPGDLMNA

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 2 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
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 7/4885TSHR 960/4885ALDH1A1 512/4885

“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.