SCHEMBL6740145

SCHEMBL6740145

Nc1nccc2s[c]cc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.39
NOS2 P35228 3/20 0.39
NCF1 P14598 2/20 0.39
F12 P00748 1/20 0.39
PLAU P00749 1/20 0.39
NOS1 P29475 1/20 0.39
BACE1 P56817 1/20 0.39
AURKA O14965 1/20 0.34
KDR P35968 1/20 0.34
AURKB Q96GD4 1/20 0.34
ROCK1 Q13464 1/20 0.33

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
SCHEMBL3785695 0.76 LMNA (0.35)
SCHEMBL6739736 0.68 NOS3 (0.39) NOS3NOS2NCF1F12PLAU
SCHEMBL761059 0.67 DYRK1A (0.48) NOS3NOS2NCF1F12PLAU
SCHEMBL27688039 0.67 NOS3 (0.38) NOS3NOS2NCF1F12PLAU
SCHEMBL627653 0.65 NOS3 (0.41) NOS3NOS2NCF1F12PLAU
SCHEMBL6163883 0.65 NOS3 (0.41) NOS3NOS2NCF1F12PLAU
SCHEMBL4317878 0.65 LIMK1 (0.47) AURKAKDRAURKBROCK1
SCHEMBL8140505 0.63 NOS2 (0.41) NOS3NOS2NCF1F12PLAU
SCHEMBL6742742 0.63 NOS3 (0.42) NOS3NOS2NCF1F12PLAU
SCHEMBL21295608 0.61 KDM4E (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
EP-1175419-A2 ARYL SULFONYLS AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2002-01-30 EP disclosed
WO-2000059902-A2 ARYL SULFONYLS AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 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-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors F12, F11, TFPI NOS3 4346/4885NOS2 4618/4885NCF1 836/4885

“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.