SCHEMBL7112913

SCHEMBL7112913

N=C(N)c1cccc(C2Sc3ccccc3N(CCCCCN3CCCCC3=N)C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.52
PRSS1 P07477 10/20 0.52
F2 P00734 9/20 0.52
PLG P00747 5/20 0.52
PROC P04070 1/20 0.46
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
GSK3B P49841 2/20 0.34

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
SCHEMBL7123078 0.87 F10 (0.68) F10PRSS1F2PLGPROC
SCHEMBL7114484 0.85 F10 (0.51) F10PRSS1F2PLGPROC
SCHEMBL7118306 0.83 F10 (0.68) F10PRSS1F2PLGPROC
SCHEMBL7116521 0.82 F10 (0.77) F10PRSS1F2PLGPROC
SCHEMBL7126671 0.82 F10 (0.70) F10PRSS1F2PLGPROC
SCHEMBL7116633 0.82 F10 (0.56) F10PRSS1F2PLGPROC
SCHEMBL7115766 0.82 F10 (0.56) F10PRSS1F2PLGPROC
SCHEMBL7115305 0.81 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL7123079 0.81 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL7123129 0.81 F10 (0.69) F10PRSS1F2PLGPROC

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-20030187256-A1 Benoxazinones/benzothiazinones as serine protease inhibitors BERRYMAN KENT ALAN (US) 2003-10-02 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 24/4885PRSS1 8/4885F2 25/4885

“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.