SCHEMBL6407742

SCHEMBL6407742

O=c1[nH]c2cc(Cl)cc(Cl)c2oc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.52
GRIN3B O60391 5/20 0.52
GRIN1 Q05586 5/20 0.52
GRIN2A Q12879 5/20 0.52
GRIN2B Q13224 5/20 0.52
GRIN2C Q14957 5/20 0.52
GRIN3A Q8TCU5 5/20 0.52
HSD17B10 Q99714 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
GPR35 Q9HC97 2/20 0.42
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL10732234 0.81 CYP1A2 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873194 0.78 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23511079 0.73 GRIN1 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11119376 0.71 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873073 0.70 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8871997 0.70 CYP1A2 (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872223 0.69 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2639494 0.68 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9054144 0.67 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873749 0.67 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124667-A1 Oxamide inhibitors of plasminogen activator inhibitor-1 CEREP SA (FR) 2005-06-09 US disclosed
US-5597922-A Glycine receptor antagonist pharmacophore STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1997-01-28 US disclosed
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1996-02-15 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-20050124667-A1 Oxamide inhibitors of plasminogen activator inhibitor-1 SERPINE1, SERPINC1, SERPINB1 GRIN2D 4180/4885GRIN3B 4203/4885GRIN1 1982/4885

“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.