SCHEMBL2074339

SCHEMBL2074339

Nc1nccc2ccc(OC(C(=O)Nc3ccc(N4CCCCC4=O)cc3)c3ccccc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.51
PRSS1 P07477 2/20 0.44
HPGDS O60760 1/20 0.41
MAPT P10636 2/20 0.40
MLKL Q8NB16 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
F9 P00740 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
USP2 O75604 1/20 0.38
ESR1 P03372 1/20 0.38
NR4A1 P22736 1/20 0.38
KMT2A Q03164 1/20 0.38
PTK2B Q14289 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2071538 0.89 F10 (0.43) F10HPGDSMAPTF9
SCHEMBL2070520 0.87 F10 (0.44) F10MAPTF9
SCHEMBL2070739 0.85 F10 (0.42) F10MAPTF9
SCHEMBL2071830 0.85 F10 (0.49) F10PRSS1HPGDSMAPTCYP1A2
SCHEMBL2070976 0.84 F10 (0.41) F10MAPTF9
SCHEMBL2072663 0.84 F10 (0.41) F10MAPTF9
SCHEMBL2073505 0.83 F10 (0.41) F10MAPTF9
SCHEMBL2073303 0.82 MAPT (0.47) F10MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL5164148 0.81 F10 (0.65) F10PRSS1F9CYP1A2CYP2D6
SCHEMBL5164872 0.81 F10 (0.55) F10PRSS1MAPTCYP1A2CYP2D6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414456-B1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2011-12-28 EP claimed
US-7902223-B2 For therapy and prophylaxis of thromboses, myocardial infarction, arteriosclerosis, inflammation, apoplexia, angina pectoris, restenosis after angioplasty, claudicatio intermittens, migraine, tumours, tumour diseases and/or tumour metastases MERCK PATENT GMBH (DE) 2011-03-08 US claimed
US-20040235828-A1 Phenyl derivatives as factor XA Inhibitors MERCK PATENTGESELLSCHAFT (DE) 2004-11-25 US claimed
EP-1414456-B1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2011-12-28 EP disclosed
US-7902223-B2 For therapy and prophylaxis of thromboses, myocardial infarction, arteriosclerosis, inflammation, apoplexia, angina pectoris, restenosis after angioplasty, claudicatio intermittens, migraine, tumours, tumour diseases and/or tumour metastases MERCK PATENT GMBH (DE) 2011-03-08 US disclosed
US-20040235828-A1 Phenyl derivatives as factor XA Inhibitors MERCK PATENTGESELLSCHAFT (DE) 2004-11-25 US disclosed
EP-1414456-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2004-05-06 EP disclosed
WO-2003013531-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-02-20 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-20040235828-A1 Phenyl derivatives as factor XA Inhibitors F11, F2, F12 F10 5/4885PRSS1 63/4885HPGDS 309/4885

“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.