SCHEMBL2072407

SCHEMBL2072407

O=C(Nc1ccc(-n2ccccc2=O)cc1)C(Nc1ccc2ncccc2c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.46
NPC1 O15118 5/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NAMPT P43490 1/20 0.44
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
F10 P00742 1/20 0.41
HDAC1 Q13547 4/20 0.40
ACP1 P24666 2/20 0.40
CCKBR P32239 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL6616722 0.83 MAPT (0.49) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2073787 0.81 F10 (0.63) PABPC1NPC1POLBMAPTMEN1
SCHEMBL12777439 0.78 PABPC1 (0.58) PABPC1NPC1POLBMAPTMEN1
SCHEMBL5167213 0.77 F10 (0.58) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL5164719 0.77 F10 (0.48) F10
SCHEMBL6726556 0.76 PABPC1 (0.60) PABPC1NPC1POLBMAPTMEN1
SCHEMBL2073687 0.73 F10 (0.49) PABPC1NPC1POLBMAPTMEN1
SCHEMBL6803185 0.72 F10 (0.63) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL6719866 0.71 ROCK2 (0.62) PABPC1NPC1POLBMAPTMEN1
SCHEMBL4735599 0.71 ROCK2 (0.49) NPC1POLBMAPTMEN1KMT2A

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 12 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
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-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-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
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 PABPC1 1141/4885NPC1 2046/4885POLB 3521/4885

“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.