SCHEMBL7800564

SCHEMBL7800564

O=C(Nc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)OCCCCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.51
ALDH1A1 P00352 10/20 0.51
MAPK1 P28482 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HTT P42858 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
BCL2L2 Q92843 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 3/20 0.48
THRB P10828 1/20 0.48
NPC1 O15118 3/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48

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
SCHEMBL7809484 1.00 MAPT (0.51) MAPTALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL7800547 0.99 MAPT (0.49) MAPTALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL7807252 0.94 MAPT (0.53) MAPTALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL7800593 0.90 ALDH1A1 (0.56) MAPTALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL7809526 0.83 ALDH1A1 (0.58) MAPTALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL16404808 0.77 ALDH1A1 (0.46) MAPTALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL8322697 0.73 ALDH1A1 (0.52) MAPTALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL7809590 0.72 ALDH1A1 (0.58) MAPTALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL8444725 0.72 ALDH1A1 (0.58) MAPTALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL7811948 0.72 ALDH1A1 (0.67) MAPTALDH1A1MAPK1SMN1; SMN2HTT

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 MAPT 3633/4885ALDH1A1 26/4885MAPK1 817/4885

“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.