SCHEMBL7121791

SCHEMBL7121791

O=C1Nc2ccccc2OC1Br

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.62
CREBBP Q92793 2/20 0.49
BRD4 O60885 1/20 0.49
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
ALOX5 P09917 1/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
USP2 O75604 1/20 0.40
BRPF1 P55201 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL19429612 0.77 PARP1 (0.62) PARP1CREBBPBRD4ALDH1A1HPGD
SCHEMBL1451025 0.77 PARP1 (1.00) PARP1CREBBPBRD4ALDH1A1HPGD
SCHEMBL13273256 0.77 PARP1 (0.62) PARP1CREBBPBRD4ALDH1A1HPGD
SCHEMBL29999040 0.77 PARP1 (0.62) PARP1CREBBPBRD4ALDH1A1HPGD
SCHEMBL912962 0.77 PARP1 (0.62) PARP1CREBBPBRD4ALDH1A1HPGD
SCHEMBL7155529 0.77 PARP1 (0.62) PARP1CREBBPBRD4ALDH1A1HPGD
SCHEMBL5670399 0.74 CA2 (0.62) PARP1CREBBPBRD4ALDH1A1HPGD
SCHEMBL5671330 0.74 PARP1 (0.54) PARP1ALDH1A1HPGDGAATP53
SCHEMBL7985286 0.73 PARP1 (0.62) PARP1CREBBPBRD4ALDH1A1HPGD
SCHEMBL18318141 0.73 PARP1 (0.62) PARP1CREBBPBRD4ALDH1A1HPGD

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 4 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 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 PARP1 1395/4885CREBBP 1139/4885BRD4 201/4885

“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.