SCHEMBL6710340

SCHEMBL6710340

Cn1c(C(=O)Nc2ccc(Br)cc2-c2noc(=O)[nH]2)cc2ccc(-c3ccccc3F)cc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.39
DHODH Q02127 1/20 0.39
CCKBR P32239 4/20 0.38
CCKAR P32238 2/20 0.38
GRIK1 P39086 1/20 0.37
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
PTGFR P43088 1/20 0.35
LCK P06239 2/20 0.34
DGAT1 O75907 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
DHFR P00374 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GRM4 Q14833 1/20 0.34

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
SCHEMBL6708878 0.91 ROCK1 (0.40) ROCK1DHODHCCKBRGRIK1KMT2A
SCHEMBL6713081 0.91 ROCK1 (0.43) ROCK1DHODHCCKBRCCKARGRIK1
SCHEMBL6710341 0.90 ROCK1 (0.38) ROCK1CCKBRGRIK1KMT2APTGFR
SCHEMBL6709219 0.88 CCKAR (0.38) ROCK1DHODHCCKBRCCKARLMNA
SCHEMBL6710127 0.86 ROCK1 (0.47) ROCK1CCKBRCCKARGRIK1KMT2A
SCHEMBL6708769 0.85 GRIK1 (0.39) ROCK1DHODHCCKBRCCKARGRIK1
SCHEMBL6710487 0.84 FTO (0.42) ROCK1GRIK1KMT2ALMNAHDAC6
SCHEMBL6711596 0.84 HIF1A (0.39) ROCK1CCKBRCCKARKMT2ALMNA
SCHEMBL6714243 0.83 LCK (0.37) ROCK1GRIK1KMT2ALMNALCK
SCHEMBL6714295 0.83 GRIK1 (0.41) ROCK1GRIK1KMT2ARXFP1GRM4

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 ROCK1 4830/4885DHODH 107/4885CCKBR 3495/4885

“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.