SCHEMBL4928565

SCHEMBL4928565

CC(O)C(C(N)=O)N(O)S(=O)(=O)c1ccc2cccnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.45
MMP13 P45452 3/20 0.45
ALDH1A1 P00352 3/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
NAMPT P43490 1/20 0.38
GPR55 Q9Y2T6 2/20 0.38
MEN1 O00255 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5 P09917 1/20 0.37
HTT P42858 2/20 0.36
ALOX15 P16050 1/20 0.36
PLK1 P53350 1/20 0.36
BCAT1 P54687 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F10 P00742 1/20 0.35
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL4926929 0.83 NPC1 (0.45) MEN1KMT2ALMNA
SCHEMBL7987098 0.74 NPC1 (0.46) MMP2MMP13MEN1KMT2ALMNA
SCHEMBL4916977 0.73 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AALOX5LMNA
SCHEMBL12831150 0.71 ALDH1A1 (0.55) ALDH1A1LOXL2MEN1CASP1CASP7
SCHEMBL25517468 0.70 ALDH1A1 (0.50) ALDH1A1LOXL2MEN1CASP1CASP7
SCHEMBL14045787 0.70 SLC1A3 (0.42) MMP13ALDH1A1LOXL2LMNASMN1; SMN2
SCHEMBL25365468 0.70 ALDH1A1 (0.52) ALDH1A1LOXL2NAMPTMEN1CASP1
SCHEMBL4926951 0.69 CA2 (0.45) ALDH1A1LMNASMN1; SMN2
SCHEMBL8312967 0.68 LMNA (0.56) ALDH1A1LOXL2MEN1CASP1CASP7
SCHEMBL4627734 0.68 ALDH1A1 (0.55) ALDH1A1LOXL2NAMPTMEN1CASP1

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 claimed
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 MMP2 428/4885MMP13 781/4885ALDH1A1 28/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 MMP2 650/4885MMP13 898/4885ALDH1A1 27/4885

“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.