SCHEMBL6710197

SCHEMBL6710197

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2noc(=O)[nH]2)cc2cccc(-c3ccccc3)c21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
ROCK1 Q13464 1/20 0.36
CCKBR P32239 3/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL6712092 0.92 RARB (0.42) ROCK1
SCHEMBL6709362 0.91 LMNA (0.36) GSK3AGSK3BROCK1ALDH1A1POLB
SCHEMBL6712131 0.91 F10 (0.34) ROCK1
SCHEMBL6712032 0.91 CSF1R (0.37) ROCK1CCKBR
SCHEMBL6711649 0.89 GRIK1 (0.33) GSK3BROCK1
SCHEMBL6708691 0.89 KDM4E (0.37) GSK3AGSK3BALDH1A1POLB
SCHEMBL6708831 0.89 GRIK1 (0.36) GSK3AGSK3BROCK1
SCHEMBL6707719 0.88 ROCK1 (0.41) ROCK1CCKBR
SCHEMBL6707962 0.88 GRIK1 (0.40) ROCK1CCKBRALDH1A1POLB
SCHEMBL6709192 0.88 GRIK1 (0.42) ROCK1CCKBR

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 1 patent. 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

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 GSK3A 4158/4885GSK3B 4467/4885ROCK1 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.