SCHEMBL4928317

SCHEMBL4928317

NC(=O)c1ccc(O)c(NC(=O)Nc2cccnc2[N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA9 Q16790 4/20 0.46
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
NPC1 O15118 3/20 0.42
CA2 P00918 3/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
PABPC1 P11940 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
EIF4H Q15056 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
RAB9A P51151 4/20 0.40

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
SCHEMBL4925630 0.84 NPC1 (0.50) NPC1KMT2AMEN1MAPTTDP1
SCHEMBL9637625 0.82 NPC1 (0.56) CXCR1CXCR2NPC1KMT2AMEN1
SCHEMBL25838729 0.77 NPC1 (0.49) CXCR1CXCR2NPC1KMT2AMEN1
SCHEMBL4923902 0.77 RAB9A (0.51) CA12CA1CA9NPC1CA2
SCHEMBL4925782 0.76 CXCR1 (0.61) CA12CA1CA9CXCR1CXCR2
SCHEMBL4925227 0.73 RAB9A (0.50) CA12CA1CA9NPC1CA2
SCHEMBL28898320 0.72 KMT2A (0.47) NPC1KMT2AMEN1MAPTHTT
SCHEMBL4920330 0.72 MDM4 (0.46) CA12CA1CA9CXCR1CXCR2
SCHEMBL10745616 0.71 KMT2A (0.53) NPC1KMT2AMEN1MAPTHTT
SCHEMBL4919880 0.71 HDAC1 (0.65) NPC1MAPTRAB9AAURKBHDAC6

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 4 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
EP-1796681-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF Genmedica Therapeutics SL (ES) 2007-06-20 EP disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US disclosed
WO-2006013209-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF GENMEDICA THERAPEUTICS SL (ES) 2006-02-09 WO 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 CA12 3438/4885CA1 2819/4885CA9 1988/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 CA12 3541/4885CA1 3000/4885CA9 2094/4885

“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.