SCHEMBL6613306

SCHEMBL6613306

N#Cc1ccc2[nH]cc(CC(=O)Nc3ccccc3-c3ccccc3S(N)(=O)=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.56
F10 P00742 12/20 0.56
PRSS1 P07477 12/20 0.56
F9 P00740 1/20 0.55
PARP14 Q460N5 1/20 0.45
CDK2 P24941 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
STAT3 P40763 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7368198 0.84 F2 (0.59) F2F10PRSS1F9RAB9A
SCHEMBL6616732 0.83 F10 (0.78) F2F10PRSS1F9
SCHEMBL7217821 0.75 NPC1 (0.46) F10PARP14CA1CA2MAPT
SCHEMBL1982997 0.72 F10 (1.00) F2F10PRSS1F9
SCHEMBL7367326 0.71 F10 (1.00) F2F10PRSS1F9
SCHEMBL4485828 0.70 TSHR (0.64) CDK2
SCHEMBL4478874 0.68 SLC6A4 (0.53)
SCHEMBL7365282 0.68 F10 (0.81) F2F10PRSS1F9
SCHEMBL20846094 0.68 HTR6 (0.46) PARP14
SCHEMBL18229447 0.67 MAPT (0.57) MEN1MAPTSTAT3RAB9AKMT2A

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 F2 4/4885F10 10/4885PRSS1 245/4885

“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.