SCHEMBL2860282

SCHEMBL2860282

COc1ccc([N+](=O)[O-])c(NCCN(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.49
ALDH1A1 P00352 1/20 0.49
TXNRD1 Q16881 17/20 0.48
GSR P00390 1/20 0.43
S1PR4 O95977 2/20 0.42
MAPT P10636 2/20 0.42
S1PR1 P21453 2/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
JAK2 O60674 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2855541 0.92 KCNH2 (0.47) NPSR1ALDH1A1TXNRD1GSRMAPT
Hydrochloric Acid SCHEMBL10829567 0.91 CHRM2 (0.46) NPSR1ALDH1A1TXNRD1GSRMAPT
SCHEMBL11358231 0.87 TXNRD1 (0.49) NPSR1TXNRD1GSRS1PR4MAPT
SCHEMBL10654754 0.85 TXNRD1 (0.55) NPSR1TXNRD1GSRS1PR4MAPT
SCHEMBL9794246 0.84 TXNRD1 (0.53) NPSR1ALDH1A1TXNRD1GSRS1PR4
SCHEMBL9794390 0.84 TXNRD1 (0.50) NPSR1TXNRD1GSRS1PR4MAPT
SCHEMBL28489675 0.82 TXNRD1 (0.57) NPSR1TXNRD1GSRS1PR4MAPT
SCHEMBL3403683 0.82 TXNRD1 (0.57) NPSR1TXNRD1GSRS1PR4MAPT
SCHEMBL9042043 0.82 TXNRD1 (0.57) NPSR1TXNRD1GSRS1PR4MAPT
SCHEMBL741498 0.82 TXNRD1 (0.48) NPSR1ALDH1A1TXNRD1GSRS1PR4

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
EP-1551806-B1 6-ALKOXY-2,3-DIAMINOPYRIDINE COUPLERS AND USE OF SAID COUPLERS FOR THE DYEING OF KERATINOUS FIBRES OREAL (FR) 2010-01-20 EP disclosed
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 NPSR1 2266/4885ALDH1A1 279/4885TXNRD1 441/4885

“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.