SCHEMBL6710163

SCHEMBL6710163

CN(C)c1ccc2onc(C(=O)Nc3ccc(C#N)cc3-c3noc(=O)[nH]3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 0.43
LRRK2 Q5S007 1/20 0.33
KIT P10721 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CSF1R P07333 1/20 0.32
F11 P03951 1/20 0.31
KLKB1 P03952 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
PDK1 Q15118 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31

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
SCHEMBL6707723 0.87 GRIK1 (0.39) HIF1ATP53POLBMAPT
SCHEMBL6711761 0.87 HIF1A (0.34) HIF1ATP53POLBMAPT
SCHEMBL6714364 0.87 HIF1A (0.45) HIF1APOLBMAPTHSP90AA1HSP90AB1
SCHEMBL6709879 0.87 HIF1A (0.48) HIF1ACSF1RF11KLKB1HSP90AA1
SCHEMBL6710040 0.87 CSF1R (0.38) HIF1ATP53POLBMAPTCSF1R
SCHEMBL6707777 0.86 HIF1A (0.38) HIF1ALRRK2TP53POLBMAPT
SCHEMBL6714271 0.86 HIF1A (0.48) HIF1A
SCHEMBL6711746 0.85 HIF1A (0.41) HIF1ALRRK2TP53POLBMAPT
SCHEMBL6713809 0.84 HIF1A (0.43) HIF1A
SCHEMBL6708048 0.84 TNIK (0.36) HIF1ALRRK2TP53POLBMAPT

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 HIF1A 296/4885LRRK2 4612/4885KIT 3997/4885

“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.