SCHEMBL6708765

SCHEMBL6708765

N#Cc1ccc(NC(=O)c2noc3cc(-c4ccccc4)ccc23)c(-c2nnn[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.43
ITK Q08881 1/20 0.37
ROCK1 Q13464 1/20 0.35
LRRK2 Q5S007 1/20 0.34
GSK3B P49841 2/20 0.33
GSK3A P49840 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
PRSS12 P56730 1/20 0.33
ACLY P53396 1/20 0.33
MAOB P27338 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL6711660 0.93 HIF1A (0.43) HIF1AITKROCK1LRRK2GSK3B
SCHEMBL6917977 0.92 EPHX2 (0.37) HIF1AITKROCK1ALDH1A1ACLY
SCHEMBL6709888 0.89 HIF1A (0.47) HIF1AROCK1
SCHEMBL6710332 0.88 EPHX2 (0.39) HIF1AROCK1
SCHEMBL6710167 0.88 ESR1 (0.38) HIF1AROCK1LRRK2
SCHEMBL6711807 0.87 HIF1A (0.45) HIF1AROCK1ACLY
SCHEMBL6707637 0.87 HIF1A (0.39) HIF1A
SCHEMBL6710038 0.87 HIF1A (0.45) HIF1AROCK1ALDH1A1POLB
SCHEMBL6710001 0.87 HIF1A (0.34) HIF1ALRRK2
SCHEMBL6709953 0.85 HIF1A (0.43) HIF1AITKROCK1ACLY

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 296/4885ITK 1711/4885ROCK1 4830/4885

“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.