SCHEMBL3249779

SCHEMBL3249779

CNc1cc(OCC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 2/20 0.47
SIRT5 Q9NXA8 1/20 0.47
HCAR3 P49019 1/20 0.47
LMNA P02545 1/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MCL1 Q07820 1/20 0.44
PTPN7 P35236 1/20 0.44

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
SCHEMBL11143202 0.83 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL27399229 0.83 MAPT (0.43) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL471095 0.82 MAPT (0.63) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL213877 0.82 PTPN7 (0.51) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL111211 0.82 MAPT (0.49) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL29392600 0.82 MAPT (0.49) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL5276459 0.81 NPC1 (0.64) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL470841 0.81 MAPT (0.47) SMN1; SMN2MAPTPOLBALDH1A1SIRT5
SCHEMBL15064772 0.81 MAPT (0.48) SMN1; SMN2NPC1RAB9AMAPTPOLB
Hydrochloric Acid SCHEMBL9760985 0.81 MAPT (0.48) SMN1; SMN2NPC1RAB9AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666095-B1 Composition for simultaneous colouring and decolouring of keratinic fibers comprising a meta substituted o-nitroaniline OREAL (FR) 2010-05-19 EP claimed
US-7452386-B2 Composition for bleaching and simultaneously dyeing keratin fibers, comprising meta-substituted ortho-nitroaniline L'OREAL S.A. (FR) 2008-11-18 US claimed
US-20060191080-A1 Composition for bleaching and simultaneously dyeing keratin fibers, comprising meta-substituted ortho-nitroaniline L'OREAL S.A. (FR) 2006-08-31 US claimed
EP-1666095-A1 Composition for simultanesou colouring and decolouring of keratinic fibers comprising a meta substituted o-nitroaniline Societe L'Oreal S.A. (FR) 2006-06-07 EP claimed
EP-1666095-B1 Composition for simultaneous colouring and decolouring of keratinic fibers comprising a meta substituted o-nitroaniline OREAL (FR) 2010-05-19 EP disclosed
US-7452386-B2 Composition for bleaching and simultaneously dyeing keratin fibers, comprising meta-substituted ortho-nitroaniline L'OREAL S.A. (FR) 2008-11-18 US disclosed
US-20060191080-A1 Composition for bleaching and simultaneously dyeing keratin fibers, comprising meta-substituted ortho-nitroaniline L'OREAL S.A. (FR) 2006-08-31 US disclosed
EP-1666095-A1 Composition for simultanesou colouring and decolouring of keratinic fibers comprising a meta substituted o-nitroaniline Societe L'Oreal S.A. (FR) 2006-06-07 EP 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-20060191080-A1 Composition for bleaching and simultaneously dyeing keratin fibers, comprising meta-substituted ortho-nitroaniline KRT18, NOX4, NOX5 SMN1; SMN2 1896/4885NPC1 4239/4885RAB9A 1002/4885

“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.