SCHEMBL6710360

SCHEMBL6710360

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2ccc(NS(C)(=O)=O)cc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.41
ROCK2 O75116 2/20 0.40
PGR P06401 5/20 0.39
NR3C1 P04150 4/20 0.36
NR3C2 P08235 4/20 0.36
AR P10275 3/20 0.36
TNIK Q9UKE5 1/20 0.36
BRPF1 P55201 4/20 0.35
BRD1 O95696 3/20 0.35
BRPF3 Q9ULD4 2/20 0.35
BRD4 O60885 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
CSF1R P07333 1/20 0.34
GRM4 Q14833 1/20 0.34
TRPA1 O75762 1/20 0.33
ROCK1 Q13464 1/20 0.33
ATM Q13315 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
SCHEMBL6710142 0.89 ROCK2 (0.41) ROCK2GRM4TRPA1ROCK1
SCHEMBL6710017 0.88 RXFP1 (0.45) TDP2ROCK2BRPF1GRM4ROCK1
SCHEMBL6713418 0.88 RXFP1 (0.36) ROCK2TNIKBRPF1GRM4ROCK1
SCHEMBL6710299 0.86 BRD4 (0.42) ROCK2BRD4
SCHEMBL6709982 0.86 MAPT (0.38) NR3C2
SCHEMBL6710229 0.86 NAMPT (0.40) ROCK2PGRBRD4GRM4ROCK1
SCHEMBL6708716 0.85 ROCK2 (0.40) ROCK2GRM4ROCK1
SCHEMBL7159445 0.85 ROCK2 (0.40) ROCK2BRD4GRM4
SCHEMBL6711975 0.85 TRPA1 (0.46) ROCK2GRM4TRPA1ROCK1
SCHEMBL6708021 0.84 MAPT (0.41) TDP2ROCK2TRPA1

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 2 patents. 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
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 3788/4885ROCK2 4868/4885PGR 3743/4885

“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.