SCHEMBL1405889

SCHEMBL1405889

CS(=O)(=O)CCC(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(-n2ccncc2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.52
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
FPR2 P25090 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1405846 0.86 F10 (0.55) F10ALDH1A1TSHR
SCHEMBL1406097 0.86 F10 (0.55) F10ALDH1A1TSHR
SCHEMBL6103822 0.79 F10 (0.61) F10FPR2
SCHEMBL6103806 0.79 F10 (0.61) F10FPR2
SCHEMBL5434234 0.77 F10 (0.62) F10KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL1405985 0.76 F10 (0.54) F10
SCHEMBL1406028 0.76 F10 (0.54) F10
SCHEMBL5440576 0.76 F10 (0.60) F10FPR2
SCHEMBL5440571 0.76 F10 (0.60) F10FPR2
SCHEMBL1405810 0.76 F10 (0.85) F10

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-1585730-B1 CARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2011-03-09 EP claimed
US-7598241-B2 2-[3-(4-chlorophenyl)ureido] N-[4-(2-oxo-2H-pyridin-1-yl)phenyl]-4-methanesulfonylbutyramide; prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors MERCK PATENT GMBH (DE) 2009-10-06 US claimed
EP-1585730-B1 CARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2011-03-09 EP disclosed
US-7598241-B2 2-[3-(4-chlorophenyl)ureido] N-[4-(2-oxo-2H-pyridin-1-yl)phenyl]-4-methanesulfonylbutyramide; prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors MERCK PATENT GMBH (DE) 2009-10-06 US disclosed
US-20060074072-A1 Carboxamide derivatives and their use as factor xa inhibitors MERCK PATENT GMBH (DE) 2006-04-06 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-20060074072-A1 Carboxamide derivatives and their use as factor xa inhibitors F11, F12, F10 F10 3/4885KMT2A 336/4885ALDH1A1 2219/4885

“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.