SCHEMBL6710341

SCHEMBL6710341

Cn1c(C(=O)Nc2ccc(Br)cc2-c2noc(=O)[nH]2)cc2ccc(-c3ccccc3C(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.38
CMA1 P23946 2/20 0.36
GRIK1 P39086 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
TRPA1 O75762 1/20 0.34
SCN9A Q15858 1/20 0.34
HTT P42858 1/20 0.34
LCK P06239 3/20 0.33
PTGFR P43088 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 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
SCHEMBL6711766 0.91 ROCK1 (0.42) ROCK1CMA1GRIK1NPC1RAB9A
SCHEMBL6710340 0.90 ROCK1 (0.39) ROCK1GRIK1KMT2ANPSR1LCK
SCHEMBL6708878 0.89 ROCK1 (0.40) ROCK1GRIK1NPC1RAB9AKMT2A
SCHEMBL6713525 0.89 ROCK1 (0.36) ROCK1CMA1TRPA1SCN9AHTT
SCHEMBL6710074 0.86 GRIK1 (0.38) ROCK1CMA1GRIK1NPC1RAB9A
SCHEMBL6711759 0.85 HIF1A (0.37) ROCK1NPSR1TRPA1SCN9ALCK
SCHEMBL6710127 0.84 ROCK1 (0.47) ROCK1GRIK1NPC1RAB9AKMT2A
SCHEMBL6710487 0.82 FTO (0.42) ROCK1GRIK1KMT2AHDAC6
SCHEMBL6707727 0.81 GRIK1 (0.37) ROCK1GRIK1NPC1RAB9AKMT2A
SCHEMBL6709925 0.81 EPHX2 (0.41) ROCK1GRIK1NPC1RAB9AKMT2A

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 4830/4885CMA1 1339/4885GRIK1 3885/4885

“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.