SCHEMBL6712092

SCHEMBL6712092

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.42
NR1H4 Q96RI1 1/20 0.37
ROCK1 Q13464 1/20 0.34
TP53 P04637 1/20 0.34
BTK Q06187 2/20 0.33
NR1I2 O75469 1/20 0.33
BRS3 P32247 1/20 0.33
F10 P00742 1/20 0.33
CSNK1D P48730 1/20 0.33

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
SCHEMBL6710197 0.92 GSK3A (0.37) ROCK1
SCHEMBL6712131 0.89 F10 (0.34) ROCK1F10
SCHEMBL6712244 0.89 GRIK1 (0.38) RARBNR1H4ROCK1TP53BTK
SCHEMBL6714161 0.89 GRIK1 (0.40) RARBNR1H4ROCK1TP53
SCHEMBL6709362 0.86 LMNA (0.36) ROCK1
SCHEMBL6711649 0.86 GRIK1 (0.33) ROCK1
SCHEMBL6712032 0.85 CSF1R (0.37) ROCK1
SCHEMBL6708831 0.85 GRIK1 (0.36) ROCK1
SCHEMBL6710331 0.85 NR1H4 (0.38) NR1H4ROCK1TP53BTKF10
SCHEMBL6710334 0.84 PDE10A (0.33)

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 RARB 400/4885NR1H4 1116/4885ROCK1 4830/4885

“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.