SCHEMBL4923923

SCHEMBL4923923

NC(=O)CN(O)Cc1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.48
ALOX5 P09917 4/20 0.48
MC4R P32245 1/20 0.48
MC3R P41968 1/20 0.48
INSR P06213 1/20 0.44
IGF1R P08069 1/20 0.44
CYP1A2 P05177 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PYCR1 P32322 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL4970586 0.82 INSR (0.54) PTGESALOX5MC4RMC3RINSR
SCHEMBL5703545 0.81 ACHE (0.49) PTGESALOX5MC4RMC3RCYP1A2
SCHEMBL5703571 0.80 SLC6A2 (0.52) PTGESALOX5MC4RMC3RINSR
SCHEMBL1533677 0.75 ALOX5 (0.53) ALOX5MC4RMC3RCYP1A2SLC6A3
SCHEMBL2442113 0.75 CYP1A2 (0.56) PTGESALOX5MC4RMC3RCYP1A2
SCHEMBL16015735 0.74 PYCR1 (0.56) MC4RMC3RCYP1A2HDAC3HDAC1
SCHEMBL4111735 0.73 MC4R (0.50) PTGESALOX5MC4RMC3RCYP1A2
SCHEMBL13186797 0.73 SLC6A2 (0.48) PTGESALOX5MC4RMC3RCYP1A2
SCHEMBL1137617 0.73 CYP1A2 (0.62) CYP1A2HDAC1HDAC8SLC6A2SLC6A3
SCHEMBL8088882 0.71 SLC6A2 (0.56) PTGESALOX5MC4RMC3RCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 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 (2 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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 PTGES 2774/4885ALOX5 533/4885MC4R 1761/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 PTGES 3140/4885ALOX5 557/4885MC4R 1890/4885

“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.