SCHEMBL4921271

SCHEMBL4921271

O=C(NO)c1ccccc1-c1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 5/20 0.74
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
CXCR1 P25024 2/20 0.57
CXCR2 P25025 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
HDAC6 Q9UBN7 1/20 0.57
RORC P51449 1/20 0.56
MAPT P10636 3/20 0.53
NPC1 O15118 2/20 0.52
AURKA O14965 1/20 0.52
PDPK1 O15530 1/20 0.52
JAK2 O60674 1/20 0.52
GMNN O75496 1/20 0.52
ALDH1A1 P00352 1/20 0.52
EGFR P00533 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
LYN P07948 1/20 0.52

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
SCHEMBL4926714 0.94 KCNMA1 (0.80) KCNMA1KMT2AMEN1CXCR1CXCR2
SCHEMBL4925666 0.85 KCNMA1 (0.67) KCNMA1KMT2AMEN1CXCR1CXCR2
SCHEMBL24380012 0.81 KCNMA1 (0.81) KCNMA1KMT2AMEN1CXCR1CXCR2
SCHEMBL11361118 0.79 KCNMA1 (0.72) KCNMA1KMT2AMEN1CXCR1CXCR2
SCHEMBL4927648 0.78 GAA (0.69) KCNMA1KMT2AMEN1MAPTNPC1
SCHEMBL34474786 0.78 KCNMA1 (0.74) KCNMA1KMT2AMEN1CXCR1CXCR2
SCHEMBL28457684 0.77 KMT2A (0.83) KCNMA1KMT2AMEN1TDP1RORC
SCHEMBL14351715 0.77 KCNMA1 (0.78) KCNMA1KMT2AMEN1CXCR1CXCR2
SCHEMBL6260473 0.77 NPC1 (0.70) KCNMA1KMT2AMEN1CXCR1CXCR2
SCHEMBL4925929 0.76 GAA (0.52) KCNMA1KMT2AMEN1MAPTNPC1

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 KCNMA1 1918/4885KMT2A 3374/4885MEN1 1562/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 KCNMA1 1781/4885KMT2A 3243/4885MEN1 1683/4885

“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.