SCHEMBL6499360

SCHEMBL6499360

NCc1ccc(-c2ccccc2CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.55
TAAR1 Q96RJ0 3/20 0.54
HRH3 Q9Y5N1 1/20 0.50
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.43
PDK2 Q15119 1/20 0.43
ADRB2 P07550 1/20 0.42
MAOB P27338 2/20 0.42
CSNK2A1 P68400 2/20 0.42
ABAT P80404 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL3789431 0.88 DPP4 (0.72) DPP4TAAR1HRH3CD274LOXL2
SCHEMBL6448256 0.85 TSHR (0.50) DPP4PDCD1CD274LTB4R2PDK2
SCHEMBL7791854 0.84 DPP4 (0.67) DPP4TAAR1HRH3PDCD1CD274
SCHEMBL28089504 0.83 TAAR1 (0.68) DPP4TAAR1HRH3CD274LOXL2
SCHEMBL22400162 0.82 CSNK2A1 (0.58) DPP4TAAR1HRH3CD274LOXL2
SCHEMBL27724876 0.82 DPP4 (0.53) DPP4TAAR1HRH3CD274LOXL2
SCHEMBL809767 0.80 TRPA1 (0.44) DPP4PDCD1CD274LTB4R2PDK2
SCHEMBL8219997 0.79 DPP4 (0.50) DPP4TAAR1HRH3CD274LOXL2
SCHEMBL3786432 0.79 DPP4 (0.48) DPP4TAAR1PDCD1CD274LTB4R2
SCHEMBL7951583 0.79 PDCD1 (0.61) DPP4PDCD1CD274LTB4R2PDK2

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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 DPP4 1734/4885TAAR1 2654/4885HRH3 914/4885

“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.