SCHEMBL6616732

SCHEMBL6616732

N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccccc3-c3ccccc3S(N)(=O)=O)c2c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.78
PRSS1 P07477 17/20 0.78
F2 P00734 14/20 0.78
F9 P00740 2/20 0.77
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
IDO1 P14902 1/20 0.44
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
KLK1 P06870 1/20 0.43

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
SCHEMBL1982997 0.88 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL7367326 0.87 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL7365282 0.84 F10 (0.81) F10PRSS1F2F9PRSS2
SCHEMBL6613306 0.83 F2 (0.56) F10PRSS1F2F9
SCHEMBL7438126 0.77 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL7449310 0.75 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL7366733 0.75 F10 (0.75) F10PRSS1F2F9PRSS2
SCHEMBL7967893 0.73 F10 (0.49) F10PRSS1F2F9PRSS2
SCHEMBL5094309 0.71 F10 (0.56) F10PRSS1F2F9
Hydrochloric Acid SCHEMBL5099759 0.70 F10 (0.55) F10PRSS1F2F9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015429-B1 BENZIMIDAZOLINONES, BENZOXAZOLINONES, BENZOPIPERAZINONES, INDANONES, AND DERIVATIVES THEREOF AS INHIBITORS OF FACTOR XA BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-12 EP disclosed
US-6552042-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-22 US disclosed
US-20010021775-A1 Benzimidazolinones, benzoxazolinones, benzopiperazinones, indanones, and derivatives thereof as inhibitors of factor Xa HAN QI (US) 2001-09-13 US disclosed
US-6207697-B1 AMIDINYL-SUBSTITUTED RINGS; ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS; ANTIISCHEMIC AND ANTIINFLAMMATORY AGENTS; STROKES; SERINE PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY 2001-03-27 US disclosed
EP-1015429-A1 BENZIMIDAZOLINONES, BENZOXAZOLINONES, BENZOPIPERAZINONES, INDANONES, AND DERIVATIVES THEREOF AS INHIBITORS OF FACTOR XA Du Pont Pharmaceuticals Company (US) 2000-07-05 EP disclosed
WO-1999012903-A1 BENZIMIDAZOLINONES, BENZOXAZOLINONES, BENZOPIPERAZINONES, INDANONES, AND DERIVATIVES THEREOF AS INHIBITORS OF FACTOR XA DU PONT PHARMACEUTICALS COMPANY (US) 1999-03-18 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-20010021775-A1 Benzimidazolinones, benzoxazolinones, benzopiperazinones, indanones, and derivatives thereof as inhibitors of factor Xa F12, F13B, F11 F10 10/4885PRSS1 245/4885F2 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.