SCHEMBL7800593

SCHEMBL7800593

O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)OCCCCl

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.56
MAPT P10636 14/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
KMT2A Q03164 5/20 0.56
RAB9A P51151 4/20 0.56
HTT P42858 4/20 0.54
MEN1 O00255 4/20 0.54
NPC1 O15118 3/20 0.51
LMNA P02545 5/20 0.50
MAPK1 P28482 2/20 0.49
ALOX12 P18054 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 2/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47

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
SCHEMBL7809526 0.94 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL7800547 0.91 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL7800564 0.90 MAPT (0.51) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL7809484 0.90 MAPT (0.51) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL7807252 0.83 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL27883230 0.76 MAPT (0.64) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL16404808 0.75 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL7808022 0.73 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL7811975 0.73 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL8322697 0.71 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A

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 ALDH1A1 26/4885MAPT 3633/4885SMN1; SMN2 4199/4885

“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.