SCHEMBL6714161

SCHEMBL6714161

Cn1c(C(=O)Nc2ccc(Cl)cc2-c2noc(=O)[nH]2)cc2cccc(-c3ccc(C(C)(C)C)cc3)c21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.40
ROCK1 Q13464 2/20 0.38
RARB P10826 1/20 0.38
SERPINE1 P05121 1/20 0.37
F11 P03951 1/20 0.36
KLKB1 P03952 1/20 0.36
CNR1 P21554 1/20 0.36
PPARG P37231 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6709192 0.91 GRIK1 (0.42) GRIK1ROCK1SERPINE1RXFP1
SCHEMBL6712244 0.91 GRIK1 (0.38) GRIK1ROCK1RARBNR1H4RXFP1
SCHEMBL6712092 0.89 RARB (0.42) ROCK1RARBNR1H4TP53
SCHEMBL6712077 0.88 GRIK1 (0.39) GRIK1ROCK1F11KLKB1RXFP1
SCHEMBL6710342 0.85 GRIK1 (0.42) GRIK1ROCK1F11KLKB1CNR1
SCHEMBL6713737 0.85 GRIK1 (0.44) GRIK1ROCK1F11KLKB1RXFP1
SCHEMBL6711901 0.85 GRIK1 (0.41) GRIK1ROCK1F11KLKB1RXFP1
SCHEMBL6713384 0.84 GRIK1 (0.47) GRIK1ROCK1F11KLKB1RXFP1
SCHEMBL6709222 0.84 GRIK1 (0.40) GRIK1ROCK1RXFP1SMN1; SMN2
SCHEMBL6711650 0.84 SERPINE1 (0.38) ROCK1SERPINE1CNR1PPARGNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 GRIK1 3885/4885ROCK1 4830/4885RARB 400/4885

“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.