SCHEMBL6709869

SCHEMBL6709869

CCCC(=O)Nc1ccc2cc(C(=O)Nc3ccc(Br)cc3-c3noc(=O)[nH]3)n(C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.38
ROCK1 Q13464 2/20 0.38
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
MAPK10 P53779 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM4 Q14833 1/20 0.35
HPGD P15428 3/20 0.35
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
HTT P42858 1/20 0.35
CNR2 P34972 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 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
SCHEMBL6711593 0.91 RXFP1 (0.43) GRIK1ROCK1HSD17B10LMNAMAPK10
SCHEMBL6713718 0.90 HPGD (0.40) GRIK1ROCK1ALDH1A1GRM4HPGD
SCHEMBL6714295 0.89 GRIK1 (0.41) GRIK1ROCK1HSD17B10ALDH1A1KDM4E
SCHEMBL6708762 0.88 PKM (0.37) GRIK1ROCK1ALDH1A1SMN1; SMN2GRM4
SCHEMBL6713177 0.88 NAMPT (0.39) ROCK1LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL6710606 0.88 GRIK1 (0.40) GRIK1ALDH1A1HTTMEN1KMT2A
SCHEMBL6710171 0.85 GRIK1 (0.38) GRIK1ROCK1ALDH1A1GRM4MAPT
SCHEMBL6713296 0.85 PYGM (0.40) GRIK1ROCK1GRM4HTTMEN1
SCHEMBL6710124 0.84 NPC1 (0.43) GRIK1HSD17B10LMNAALDH1A1KDM4E
SCHEMBL6713703 0.84 AKR1C2 (0.40) GRIK1LMNASMN1; SMN2POLBMAPT

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 GRIK1 3885/4885ROCK1 4830/4885HSD17B10 1990/4885

“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.