SCHEMBL3966375

SCHEMBL3966375

O=[N+]([O-])c1ccccc1OCCc1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
RECQL P46063 2/20 0.66
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 4/20 0.55
LMNA P02545 2/20 0.55
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 3/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 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
SCHEMBL8119165 0.85 NPC1 (0.60) NPC1RAB9ARECQLALDH1A1KDM4E
SCHEMBL620542 0.85 LMNA (0.48) NPC1RAB9ARECQLALDH1A1KDM4E
SCHEMBL9187561 0.81 NPC1 (1.00) NPC1RAB9ARECQLALDH1A1KDM4E
SCHEMBL9642715 0.79 NPC1 (0.89) NPC1RAB9ARECQLALDH1A1KDM4E
SCHEMBL619300 0.79 RAB9A (0.48) NPC1RAB9ARECQLALDH1A1KDM4E
SCHEMBL11292192 0.78 NPC1 (0.74) NPC1RAB9ARECQLALDH1A1KDM4E
SCHEMBL6793846 0.77 KMT2A (0.62) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL10597265 0.76 MEN1 (0.51) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL10113297 0.76 NPC1 (0.77) NPC1RAB9ARECQLALDH1A1KDM4E
SCHEMBL6500018 0.76 POLB (0.58) NPC1RAB9AALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517367-B2 Cationic naphthyldiazo dyes and keratin fibers-coloring agents containing these dyes WELLA AG (DE) 2009-04-14 US disclosed
US-20080167453-A1 Cationic Naphthyldiazo Dyes and Keratin Fibers-Coloring Agents Containing These Dyes WELLA AG (DE) 2008-07-10 US disclosed
EP-1740657-B1 CATIONIC NAPHTHYLDIAZO DYES AND AGENTS CONTAINING SAID DYES USED TO COLOUR KERATIN FIBRES WELLA AG (DE) 2007-09-12 EP disclosed
EP-1740657-A1 CATIONIC NAPHTHYLDIAZO DYES AND AGENTS CONTAINING SAID DYES USED TO COLOUR KERATIN FIBRES Wella Aktiengesellschaft (DE) 2007-01-10 EP disclosed
WO-2005085362-A1 CATIONIC NAPHTHYLDIAZO DYES AND AGENTS CONTAINING SAID DYES USED TO COLOUR KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2005-09-15 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-20080167453-A1 Cationic Naphthyldiazo Dyes and Keratin Fibers-Coloring Agents Containing These Dyes KRT18, KPNB1, KPNA3 NPC1 1787/4885RAB9A 2730/4885RECQL 3894/4885

“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.