SCHEMBL6161517

SCHEMBL6161517

Nc1nccc2c(O)c[c]cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.38
NOS2 P35228 3/20 0.38
F12 P00748 2/20 0.38
PLAU P00749 1/20 0.38
NCF1 P14598 1/20 0.38
NOS1 P29475 1/20 0.38
BACE1 P56817 1/20 0.38
EP300 Q09472 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
ROCK1 Q13464 1/20 0.33
TGFBR1 P36897 1/20 0.31
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 2/20 0.31
IDO1 P14902 1/20 0.31
PSMB5 P28074 1/20 0.31
PLG P00747 1/20 0.30
F11 P03951 1/20 0.30
KLKB1 P03952 1/20 0.30
PRSS1 P07477 1/20 0.30

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
SCHEMBL6163883 0.80 NOS3 (0.41) NOS3NOS2F12PLAUNCF1
SCHEMBL6161765 0.73 PLAU (0.38) NOS3NOS2F12PLAUNCF1
SCHEMBL6160965 0.72 EP300 (0.31) EP300KAT2BKAT8
Bromide SCHEMBL6765789 0.71 F12 (0.48) NOS3NOS2F12PLAUNCF1
SCHEMBL1996363 0.67 NOS3 (0.53) NOS3NOS2F12PLAUNCF1
SCHEMBL6631223 0.64 IDO1 (0.48) PLAUEP300KAT2BKAT8IDO1
SCHEMBL27975774 0.64
SCHEMBL6162601 0.63 ROCK1 (0.45) NOS3NOS2F12PLAUNCF1
SCHEMBL2360937 0.63
SCHEMBL419163 0.63

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 EP claimed
US-6906070-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US claimed
EP-1175419-B1 ARYL SULFONYLS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-28 EP claimed
US-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors WEXLER RUTH R (US) 2003-03-13 US claimed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US claimed
EP-1175419-A2 ARYL SULFONYLS AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2002-01-30 EP claimed
WO-2000059902-A2 ARYL SULFONYLS AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO claimed
EP-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 EP claimed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 WO claimed
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 EP disclosed
US-6906070-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-6689770-B2 AN INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
EP-1175419-B1 ARYL SULFONYLS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-28 EP disclosed
US-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors WEXLER RUTH R (US) 2003-03-13 US disclosed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US disclosed
EP-1175419-A2 ARYL SULFONYLS AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2002-01-30 EP disclosed
US-6339099-B1 FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER DUPONT PHARMACEUTICALS COMPANY 2002-01-15 US disclosed
WO-2000059902-A2 ARYL SULFONYLS AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed
EP-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 EP disclosed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 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 (2 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-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors F12, F11, TFPI NOS3 4346/4885NOS2 4618/4885F12 1/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI NOS3 707/4885NOS2 845/4885F12 4/4885

“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.