SCHEMBL7800482

SCHEMBL7800482

O=[N+]([O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.72
ALDH1A1 P00352 7/20 0.68
MAPT P10636 8/20 0.64
TDP1 Q9NUW8 4/20 0.64
LMNA P02545 4/20 0.64
MAPK1 P28482 3/20 0.64
SMN1; SMN2 Q16637 4/20 0.63
KDM4E B2RXH2 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CTSB P07858 1/20 0.58
HTT P42858 2/20 0.56
IDE P14735 1/20 0.56
RAB9A P51151 1/20 0.56
NPC1 O15118 1/20 0.56

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
SCHEMBL7517180 0.89 GAA (0.84) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL9396792 0.89 GAA (0.84) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL7807230 0.85 GAA (0.97) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL2711990 0.84 MAPT (0.77) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL2103553 0.84 ALDH1A1 (0.68) GAAALDH1A1MAPTLMNAMAPK1
SCHEMBL29937693 0.84 ALDH1A1 (0.68) GAAALDH1A1MAPTLMNAMAPK1
SCHEMBL3738174 0.84 GAA (1.00) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL690222 0.83 MAPT (0.63) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL2712983 0.83 MAPT (0.63) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL2061743 0.83 ALDH1A1 (0.66) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010005914-A1 OXIDATION DYES ANDREAS J. BITTNER 2001-07-05 US disclosed
EP-0912160-A2 OXIDATION DYES Hans Schwarzkopf GmbH & Co. KG (DE) 1999-05-06 EP disclosed
WO-1998001106-A2 OXIDATION DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 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 (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-20010005914-A1 OXIDATION DYES AOC1, CBR3, KRT18 GAA 4430/4885ALDH1A1 26/4885MAPT 3633/4885

“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.