SCHEMBL7559643

SCHEMBL7559643

O=[N+]([O-])c1ccc(N/N=C2/CCc3cc(O)c(O)c([N+](=O)[O-])c32)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.47
MAPK1 P28482 10/20 0.47
ALDH1A1 P00352 8/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
L3MBTL1 Q9Y468 5/20 0.47
GAA P10253 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
ATM Q13315 1/20 0.47
CYP1A2 P05177 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALPG P10696 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL7559647 1.00 MAPT (0.47) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7511239 0.94 MAPT (0.48) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7511237 0.94 MAPT (0.48) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7436428 0.76 TTR (0.33) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7436432 0.76 TTR (0.33) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL8589822 0.75 CYP1A2 (0.62) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7514913 0.69 GRIN2D (0.33) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7514906 0.69 GRIN2D (0.33) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL29837423 0.69 MAPT (0.70) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL547001 0.69 MAPT (0.70) MAPTMAPK1ALDH1A1MEN1KMT2A

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-20020037931-A1 Substituted nitrated catechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them PORTELA & C.A., S.A. (PT) 2002-03-28 US disclosed
EP-1167341-A1 Substituted nitrated catechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them Portela & Ca., S.A. (PT) 2002-01-02 EP 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-20020037931-A1 Substituted nitrated catechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them SLC6A2, COMT, SLC6A3 MAPT 379/4885MAPK1 1779/4885ALDH1A1 477/4885

“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.