SCHEMBL6709362

SCHEMBL6709362

Cc1ccccc1-c1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3noc(=O)[nH]3)n(C)c12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CSF1R P07333 1/20 0.36
POLB P06746 2/20 0.34
EPAS1 Q99814 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
TRPA1 O75762 1/20 0.33
ROCK1 Q13464 1/20 0.33
MAPK14 Q16539 1/20 0.32
FTO Q9C0B1 1/20 0.32
THRB P10828 1/20 0.32
GRIK1 P39086 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6712032 0.91 CSF1R (0.37) LMNACSF1RTRPA1ROCK1THRB
SCHEMBL6710197 0.91 GSK3A (0.37) POLBGSK3AGSK3BROCK1ALDH1A1
SCHEMBL6708691 0.90 KDM4E (0.37) POLBGSK3AGSK3BMAPTALDH1A1
SCHEMBL6711649 0.89 GRIK1 (0.33) LMNAGSK3BTRPA1ROCK1GRIK1
SCHEMBL6710334 0.88 PDE10A (0.33) LMNAEPAS1TRPA1THRBGRIK1
SCHEMBL6710342 0.88 GRIK1 (0.42) LMNAPOLBROCK1FTOGRIK1
SCHEMBL6709841 0.88 GRIK1 (0.40) LMNAPOLBROCK1FTOTHRB
SCHEMBL6708831 0.88 GRIK1 (0.36) GSK3AGSK3BTRPA1ROCK1GRIK1
SCHEMBL6707719 0.87 ROCK1 (0.41) LMNATRPA1ROCK1MAPT
SCHEMBL6712092 0.86 RARB (0.42) ROCK1

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 LMNA 4062/4885CSF1R 1430/4885POLB 626/4885

“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.