SCHEMBL7119611

SCHEMBL7119611

N=C(N)c1cccc(C2Sc3ccccc3N(CCCCCN3CCC(S(=O)(=O)O)CC3)C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.54
PRSS1 P07477 10/20 0.54
F2 P00734 9/20 0.54
PLG P00747 5/20 0.54
PROC P04070 1/20 0.46
DRD2 P14416 3/20 0.40
HRH1 P35367 3/20 0.40
DRD3 P35462 2/20 0.40
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL7115766 0.91 F10 (0.56) F10PRSS1F2PLGPROC
SCHEMBL7123078 0.89 F10 (0.68) F10PRSS1F2PLGPROC
SCHEMBL7126768 0.88 F10 (0.54) F10PRSS1F2PLGPROC
SCHEMBL7121864 0.88 F10 (0.53) F10PRSS1F2PLGPROC
SCHEMBL7123964 0.87 F10 (0.53) F10PRSS1F2PLGPROC
SCHEMBL7126671 0.87 F10 (0.70) F10PRSS1F2PLGPROC
SCHEMBL7116633 0.87 F10 (0.56) F10PRSS1F2PLGPROC
SCHEMBL7123305 0.85 F10 (0.51) F10PRSS1F2PLGPROC
SCHEMBL7118306 0.83 F10 (0.68) F10PRSS1F2PLGPROC
SCHEMBL7117207 0.83 F10 (0.52) 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 8 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
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
EP-0558487-B1 PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1998-10-07 EP disclosed
US-5328917-A Aminoalkyl and phenyl substituted hydrogenated pyridines NOVO NORDISK A/S (DK) 1994-07-12 US disclosed
WO-1992001672-A1 PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-02-06 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.