SCHEMBL2855541

SCHEMBL2855541

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
MAOA P21397 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
ADORA2A P29274 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47
PDE4D Q08499 1/20 0.47
TXNRD1 Q16881 11/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45

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
Hydrochloric Acid SCHEMBL10829567 0.99 CHRM2 (0.46) KCNH2CHRM2CHRM1DRD2ADRA2B
SCHEMBL2860282 0.92 NPSR1 (0.49) TXNRD1MAPTALDH1A1GSRNPSR1
SCHEMBL3403683 0.87 TXNRD1 (0.57) TXNRD1MAPTGSRLMNANPSR1
SCHEMBL741498 0.85 TXNRD1 (0.48) TXNRD1MAPTALDH1A1GSRLMNA
SCHEMBL9042043 0.85 TXNRD1 (0.57) TXNRD1MAPTGSRLMNANPSR1
SCHEMBL9794246 0.84 TXNRD1 (0.53) TXNRD1SMN1; SMN2POLBMAPTKMT2A
SCHEMBL10654754 0.83 TXNRD1 (0.55) TXNRD1MAPTGSRNPSR1
SCHEMBL11358231 0.82 TXNRD1 (0.49) MAOATXNRD1MAPTGSRNPSR1
SCHEMBL9794390 0.82 TXNRD1 (0.50) TXNRD1MAPTGSRNPSR1
SCHEMBL28489675 0.80 TXNRD1 (0.57) TXNRD1MAPTGSRNPSR1

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 KCNH2 217/4885CHRM2 1733/4885CHRM1 2709/4885

“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.