SCHEMBL7115355

SCHEMBL7115355

COc1ccc(C2Oc3ccccc3N(CCBr)C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.64
GSK3B P49841 2/20 0.52
ADK P55263 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.46
PRSS1 P07477 2/20 0.44
F2 P00734 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CACNA1S Q13698 2/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
MAOB P27338 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7119706 0.91 F10 (0.71) F10GSK3BADKPRSS1F2
SCHEMBL7123884 0.88 F10 (0.64) F10GSK3BADKL3MBTL1PRSS1
SCHEMBL7117172 0.88 F10 (0.64) F10GSK3BADKL3MBTL1PRSS1
SCHEMBL7122953 0.82 F10 (0.58) F10GSK3BADKL3MBTL1ALDH1A1
SCHEMBL7114488 0.80 F10 (0.72) F10GSK3BADKPRSS1F2
SCHEMBL7121812 0.80 F10 (0.69) F10GSK3BADKPRSS1F2
SCHEMBL7119791 0.79 F10 (0.67) F10GSK3BADKPRSS1F2
SCHEMBL7115180 0.79 F10 (1.00) F10PRSS1F2
SCHEMBL7126613 0.78 F10 (0.69) F10GSK3BADKPRSS1F2
SCHEMBL7123919 0.77 F10 (0.55) F10PRSS1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6509335-B1 This invention discloses benzoxazinone and benzothiazinone compounds which display inhibitory effects on serine proteases such as factor Xa, thrombin, and/or factor VIIa. The invention also discloses pharmaceutically acceptable salts of WARNER-LAMBERT COMPANY 2003-01-21 US claimed
EP-1068191-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP claimed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO claimed
US-20030187256-A1 Benoxazinones/benzothiazinones as serine protease inhibitors BERRYMAN KENT ALAN (US) 2003-10-02 US disclosed
US-6509335-B1 This invention discloses benzoxazinone and benzothiazinone compounds which display inhibitory effects on serine proteases such as factor Xa, thrombin, and/or factor VIIa. The invention also discloses pharmaceutically acceptable salts of WARNER-LAMBERT COMPANY 2003-01-21 US disclosed
EP-1068191-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP disclosed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 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-20030187256-A1 Benoxazinones/benzothiazinones as serine protease inhibitors HABP2, SPINT2, SERPINB1 F10 24/4885GSK3B 1069/4885ADK 3344/4885

“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.