SCHEMBL6713409

SCHEMBL6713409

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2noc(=O)[nH]2)cc2ccc(NS(C)(=O)=O)cc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.42
PGR P06401 3/20 0.38
BRPF1 P55201 4/20 0.36
BRD1 O95696 3/20 0.36
BRPF3 Q9ULD4 2/20 0.36
BRD4 O60885 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 2/20 0.35
CSF1R P07333 1/20 0.35
NR3C1 P04150 2/20 0.35
NR3C2 P08235 2/20 0.35
AR P10275 1/20 0.35
TNIK Q9UKE5 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
ATM Q13315 1/20 0.34
GRM4 Q14833 1/20 0.33
F11 P03951 1/20 0.33
KLKB1 P03952 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
SCHEMBL6710082 0.90 ROCK2 (0.37) ROCK2ROCK1RXFP1GRM4F11
SCHEMBL6709891 0.89 RXFP1 (0.46) TDP2BRPF1ROCK1RXFP1ATM
SCHEMBL6707784 0.88 MAPT (0.39) BRPF1BRD1BRPF3BRD4BRD9
SCHEMBL6710171 0.88 GRIK1 (0.38) BRPF1ROCK1TNIKRXFP1ATM
SCHEMBL6709966 0.87 PKLR (0.40) BRD4
SCHEMBL6713177 0.86 NAMPT (0.39) PGRBRD4ROCK2ROCK1GRM4
SCHEMBL6707687 0.85 PYGM (0.39) ROCK2ROCK1RXFP1GRM4F11
SCHEMBL6707688 0.85 ADORA2B (0.38) ROCK2ROCK1GRM4F11
SCHEMBL6710317 0.85 ROCK1 (0.45) ROCK1GRM4
SCHEMBL6709892 0.85 RAB9A (0.41) ROCK2ROCK1GRM4

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 TDP2 3788/4885PGR 3743/4885BRPF1 95/4885

“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.