SCHEMBL7807252

SCHEMBL7807252

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
ALDH1A1 P00352 11/20 0.53
MAPK1 P28482 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
TDP1 Q9NUW8 3/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
GAA P10253 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
THRB P10828 1/20 0.50
BCL2L2 Q92843 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 2/20 0.48
CASP3 P42574 1/20 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 0.94 MAPT (0.51) MAPTALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL7800564 0.94 MAPT (0.51) MAPTALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL7800547 0.93 MAPT (0.49) MAPTALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL7809526 0.89 ALDH1A1 (0.58) MAPTALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL7800593 0.83 ALDH1A1 (0.56) MAPTALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL8322697 0.79 ALDH1A1 (0.52) MAPTALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL18134021 0.76 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2TDP1HTT
SCHEMBL8445302 0.75 ALDH1A1 (0.51) MAPTALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL8799965 0.73 ALDH1A1 (0.46) MAPTALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL7811948 0.73 ALDH1A1 (0.67) MAPTALDH1A1MAPK1SMN1; SMN2TDP1

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.