SCHEMBL6711922

SCHEMBL6711922

CCC(C)Oc1ccc2cc(C(=O)Nc3ccc(C#N)cc3-c3noc(=O)[nH]3)n(C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TRPA1 O75762 1/20 0.34
HSP90AB1 P08238 1/20 0.34
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
ABL1 P00519 1/20 0.33
TDP2 O95551 4/20 0.33
KDM1A O60341 1/20 0.32
F11 P03951 1/20 0.32
KLKB1 P03952 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ROCK2 O75116 1/20 0.32
PLA2G4A P47712 1/20 0.32
BRPF1 P55201 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
SCHEMBL6714061 0.89 PLA2G4A (0.39) LMNAMAPTTDP2KDM1AALDH1A1
SCHEMBL6707925 0.89 RXFP1 (0.39) LMNAMAPTHSP90AB1ABL1KDM1A
SCHEMBL6713546 0.89 HSP90AB1 (0.35) LMNAMAPTHSP90AB1ABL1ALDH1A1
SCHEMBL6708819 0.86 KDM1A (0.43) LCKFYNKDM1A
SCHEMBL6918878 0.85 TDP2 (0.45) MAPTTDP2KDM1AROCK2
SCHEMBL6708703 0.85 ROCK2 (0.35) LMNAMAPTTRPA1LCKFYN
SCHEMBL6708917 0.85 KDM1A (0.43) LCKFYNKDM1A
SCHEMBL6710317 0.83 ROCK1 (0.45) LMNATRPA1HSP90AB1LCKKDM1A
SCHEMBL6710387 0.83 TDP2 (0.43) MAPTTDP2KDM1AALDH1A1
SCHEMBL6710082 0.83 ROCK2 (0.37) TRPA1LCKFYNF11KLKB1

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 4062/4885MAPT 4754/4885TRPA1 594/4885

“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.