SCHEMBL13613552

SCHEMBL13613552

Nc1nc(C(=O)O)c(Cl)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 1/20 0.41
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
LMNA P02545 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRIK3 Q13003 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIK4 Q16099 1/20 0.36
GRIK5 Q16478 1/20 0.36

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
SCHEMBL3108707 0.77 GRIN2D (0.38) TDP1CYP1A2ALDH1A1GRIN2DGRIN3B
SCHEMBL2811194 0.76 PIN1 (0.48) TDP1CYP1A2ALDH1A1HIF1APIN1
SCHEMBL14468605 0.71 CYP1A2 (0.40) TDP1CYP1A2ALDH1A1HIF1APIN1
SCHEMBL3793535 0.64 TDP1 (0.57) TDP1CYP1A2ALDH1A1HIF1ALMNA
SCHEMBL29768708 0.64 TDP1 (0.57) TDP1CYP1A2ALDH1A1HIF1ALMNA
SCHEMBL2850325 0.64 TDP1 (0.52) TDP1CYP1A2ALDH1A1LMNAHCAR2
SCHEMBL29153182 0.63 ALDH1A1 (0.46) TDP1CYP1A2ALDH1A1HIF1ALMNA
SCHEMBL9091064 0.63 TDP1 (0.56) TDP1CYP1A2ALDH1A1GRIN2DGRIN3B
SCHEMBL588905 0.63 TDP1 (0.44) TDP1CYP1A2ALDH1A1HIF1ALMNA
SCHEMBL1134621 0.62 SCNN1A (0.58) TDP1CYP1A2ALDH1A1HIF1ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 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-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA TDP1 4492/4885CYP1A2 2208/4885ALDH1A1 3037/4885

“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.