SCHEMBL6833879

SCHEMBL6833879

Cc1ccccc1-c1ccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)n(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALB P02768 2/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TRPA1 O75762 1/20 0.40
MCL1 Q07820 1/20 0.39
ROCK1 Q13464 1/20 0.38
SMYD2 Q9NRG4 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PRSS12 P56730 2/20 0.36
SERPINE1 P05121 2/20 0.36
ROCK2 O75116 1/20 0.36
LCK P06239 3/20 0.36
HCK P08631 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL6835707 0.90 ALB (0.41) LMNAALBTP53MAPTTRPA1
SCHEMBL6835629 0.88 ALB (0.39) LMNAALBTP53MAPTTRPA1
SCHEMBL6818878 0.84 ALB (0.56) LMNAALBTP53MAPTTRPA1
SCHEMBL6833840 0.83 LMNA (0.42) LMNAALBTP53MAPTTRPA1
SCHEMBL6834339 0.82 MAPT (0.39) LMNAALBTP53MAPTTRPA1
SCHEMBL6707644 0.81 LMNA (0.38) LMNATP53MAPTTRPA1ROCK1
SCHEMBL6834548 0.81 BRD4 (0.41) LMNAALBTP53MAPTPRSS12
SCHEMBL6708877 0.80 ROCK1 (0.38) LMNATRPA1ROCK1SMYD2GSK3A
SCHEMBL6818253 0.80 ROCK2 (0.42) LMNAALBTP53MAPTTRPA1
SCHEMBL6835702 0.80 MAPT (0.47) LMNAALBTP53MAPT

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 LMNA 3376/4885ALB 1417/4885TP53 2331/4885

“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.