SCHEMBL7808022

SCHEMBL7808022

O=[N+]([O-])c1cc(NCCCO)ccc1N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.62
MAPT P10636 12/20 0.62
SMN1; SMN2 Q16637 5/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.55
RAC1 P63000 1/20 0.53
LMNA P02545 5/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.49
NPC1 O15118 1/20 0.48
HDAC1 Q13547 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
SCHEMBL7811975 0.93 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL7800487 0.89 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL7809590 0.88 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL8444725 0.88 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL7811948 0.81 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
Hydrochloric Acid SCHEMBL7805749 0.78 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2RAB9ALMNA
SCHEMBL8643871 0.77 LMNA (0.52) ALDH1A1MAPTSMN1; SMN2KMT2ARAC1
SCHEMBL18155145 0.77 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL11308452 0.76 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL27883230 0.74 MAPT (0.64) ALDH1A1MAPTSMN1; SMN2RAB9AKMT2A

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.