SCHEMBL6710074

SCHEMBL6710074

Cn1c(C(=O)Nc2ccc(Br)cc2-c2noc(=O)[nH]2)cc2cccc(-c3ccccc3C(F)(F)F)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.38
HTT P42858 1/20 0.35
KMT2A Q03164 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CMA1 P23946 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HIF1A Q16665 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PTGFR P43088 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
ABL1 P00519 1/20 0.32

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
SCHEMBL6709222 0.91 GRIK1 (0.40) GRIK1HTTKMT2ANPC1RAB9A
SCHEMBL6708769 0.90 GRIK1 (0.39) GRIK1HTTKMT2ANPC1NPSR1
SCHEMBL6709841 0.89 GRIK1 (0.40) GRIK1KMT2ANPSR1HIF1ARXFP1
SCHEMBL6707962 0.88 GRIK1 (0.40) GRIK1KMT2ANPSR1HIF1ARXFP1
SCHEMBL6708988 0.87 KDM4E (0.39) GRIK1HTTKMT2ANPC1RAB9A
SCHEMBL6710341 0.86 ROCK1 (0.38) GRIK1HTTKMT2ANPC1RAB9A
SCHEMBL6711606 0.86 GRIK1 (0.42) GRIK1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6710225 0.85 GRIK1 (0.42) GRIK1HTTKMT2ANPC1RAB9A
SCHEMBL6712244 0.84 GRIK1 (0.38) GRIK1KMT2ASMN1; SMN2NPSR1HIF1A
SCHEMBL6709863 0.84 HIF1A (0.38) KMT2ANPSR1HIF1ARXFP1HDAC3

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 3885/4885HTT 2287/4885KMT2A 3181/4885

“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.