SCHEMBL6161145

SCHEMBL6161145

COc1[c]cc2c(N)nccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.41
F12 P00748 4/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
PLAU P00749 1/20 0.41
NCF1 P14598 1/20 0.41
BACE1 P56817 1/20 0.41
FYN P06241 1/20 0.38
MAOA P21397 2/20 0.37
MAP4K4 O95819 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PLG P00747 1/20 0.35
F11 P03951 1/20 0.35
KLKB1 P03952 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 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
SCHEMBL6161612 0.81 ROCK1 (0.47) ROCK1F12NOS3NOS1NOS2
SCHEMBL18300458 0.78 ROCK1 (0.45) ROCK1F12NOS3NOS1NOS2
SCHEMBL6162601 0.75 ROCK1 (0.45) ROCK1F12NOS3NOS1NOS2
SCHEMBL15595899 0.73 SMN1; SMN2 (0.57) F12GAAMAPTSMN1; SMN2TDP1
SCHEMBL1205043 0.71 ROCK1 (0.59) ROCK1F12NOS3NOS1NOS2
SCHEMBL23716567 0.69 CCR1 (0.37) SMN1; SMN2
SCHEMBL15061917 0.69 SMN1; SMN2 (0.47) ROCK1F12NOS3NOS1NOS2
SCHEMBL1206252 0.69 SMN1; SMN2 (0.47) ROCK1F12NOS3NOS1NOS2
SCHEMBL808754 0.68 NQO1 (0.46) MAOAMAPTSMN1; SMN2
SCHEMBL1834564 0.68 PLAU (0.59) ROCK1F12NOS3NOS1NOS2

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 19 patents. 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-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-6399644-B1 ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY 2002-06-04 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 ROCK1 3551/4885F12 1/4885NOS3 4346/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI ROCK1 213/4885F12 4/4885NOS3 707/4885

“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.