SCHEMBL5832744

SCHEMBL5832744

COc1ccc([N+](=O)[O-])c(NCC(O)CO)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 17/20 0.46
GLA P06280 1/20 0.42
GSR P00390 1/20 0.41
S1PR4 O95977 2/20 0.41
MAPT P10636 2/20 0.41
S1PR1 P21453 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
JAK2 O60674 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL28489676 0.84 TXNRD1 (0.53) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL3846429 0.83 TXNRD1 (0.49) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL9794246 0.82 TXNRD1 (0.53) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL13728584 0.81 TXNRD1 (0.48) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL3410375 0.81 TXNRD1 (0.41) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL3410384 0.81 TXNRD1 (0.41) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL3410380 0.81 TXNRD1 (0.41) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL335995 0.81 TXNRD1 (0.49) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL5363195 0.81 TXNRD1 (0.45) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL28489675 0.80 TXNRD1 (0.57) TXNRD1GSRS1PR4MAPTS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7044987-B2 6-alkoxy-2,3-diaminopyridine couplers in which the amino radical in position 2 is a monosubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2006-05-16 US disclosed
EP-1551806-A1 6-ALKOXY-2,3-DIAMINOPYRIDINE COUPLERS AND USE OF SAID COUPLERS FOR THE DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2005-07-13 EP disclosed
US-20050060814-A1 Novel 6-alkoxy-2,3-diaminopyridine couplers in which the amino radical in position 2 is a monosubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2005-03-24 US disclosed
WO-2004031152-A1 6-ALKOXY-2,3-DIAMINOPYRIDINE COUPLERS AND USE OF SAID COUPLERS FOR THE DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2004-04-15 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-20050060814-A1 Novel 6-alkoxy-2,3-diaminopyridine couplers in which the amino radical in position 2 is a monosubstituted amino radical, and use of these couplers for dyeing keratin fibres KRT18, QDPR, PYCR1 TXNRD1 441/4885GLA 3416/4885GSR 164/4885

“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.