SCHEMBL6714829

SCHEMBL6714829

COC(=O)c1cccc(-c2cccc([N+](=O)[O-])n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.54
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CDK8 P49336 1/20 0.47
MAPT P10636 2/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
SDHB P21912 1/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
SRC P12931 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL4895475 0.80 GABRG2 (0.66) ERN1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13680584 0.79 GABRG2 (0.53) ERN1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2878741 0.77 MEN1 (0.65) ERN1CA12CA1CA2CA9
SCHEMBL6714723 0.77 CA12 (0.52) ERN1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29441715 0.77 MEN1 (0.65) ERN1CA12CA1CA2CA9
SCHEMBL30107993 0.77 CDK8 (0.54) ERN1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6718372 0.77 CNR1 (0.56) ERN1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2025282 0.76 MAPT (0.65) ERN1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2031327 0.76 CA12 (0.62) ERN1CA12CA1CA2CA9
SCHEMBL16553302 0.76 GABRG2 (0.53) ERN1GABRG2GABRB3GABRA5GABRA3

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-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP 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-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 ERN1 2053/4885GABRG2 3423/4885GABRB3 3822/4885

“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.