SCHEMBL2072483

SCHEMBL2072483

CCCC(Oc1ccc2ccnc(N)c2c1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.40
FFAR4 Q5NUL3 7/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
GRM4 Q14833 2/20 0.37
F10 P00742 2/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL2073017 0.89 F10 (0.39) FFAR1FFAR4F10F9
SCHEMBL2073507 0.89 F10 (0.39) FFAR1FFAR4MAPTKDM4EF10
SCHEMBL2074308 0.86 F9 (0.39) FFAR1FFAR4MAPTF10MEN1
SCHEMBL2070976 0.86 F10 (0.41) MAPTF10SMN1; SMN2F9
SCHEMBL2073201 0.85 F9 (0.37) FFAR1FFAR4F10F9
SCHEMBL2071687 0.84 F10 (0.39) FFAR1FFAR4MAPTTP53F10
SCHEMBL2071405 0.83 NPC1 (0.41) MAPTTP53KDM4EF10MEN1
SCHEMBL2072554 0.83 LMNA (0.39) GRM4LMNAF9
SCHEMBL2073908 0.83 ROCK2 (0.37) FFAR1FFAR4MAPTTP53KDM4E
SCHEMBL2073505 0.81 F10 (0.41) MAPTF10ALDH1A1SMN1; SMN2F9

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-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2004-05-06 EP claimed
WO-2003013531-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-02-20 WO 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

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 FFAR1 2888/4885FFAR4 4420/4885MAPT 4259/4885

“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.