SCHEMBL4632183

SCHEMBL4632183

COc1nccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 4/20 0.45
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA13 Q8N1Q1 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
TXNRD1 Q16881 2/20 0.38
PIN1 Q13526 1/20 0.38
GPR35 Q9HC97 1/20 0.38
MERTK Q12866 1/20 0.38
LMNA P02545 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL6454149 0.84 MEN1 (0.45) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL29513591 0.84 KMT2A (0.56) MEN1KMT2AALDH1A1TDP1CA1
SCHEMBL21826840 0.84 KMT2A (0.56) MEN1KMT2AALDH1A1TDP1CA1
SCHEMBL7222277 0.82 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL30622686 0.81 MEN1 (0.45) MEN1KMT2AALDH1A1TDP1CA1
SCHEMBL16475128 0.81 MEN1 (0.45) MEN1KMT2AALDH1A1TDP1CA1
SCHEMBL2068719 0.81 MEN1 (0.45) MEN1KMT2AALDH1A1TDP1CA1
SCHEMBL1959760 0.81 MEN1 (0.45) MEN1KMT2AALDH1A1TDP1CA1
SCHEMBL911571 0.81 MEN1 (0.45) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL7372433 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1TDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1634574-B1 Novel black two ring heteroaromatic direct dyes OREAL (FR) 2008-05-28 EP disclosed
EP-1457199-B1 Coupling agents having a 2,3,5-triaminopyridine structure and their use for dyeing keratinic fibres OREAL (FR) 2008-05-14 EP disclosed
US-7288124-B2 Heteroaromatic binuclear black direct dyes L'OREAL S.A. (FR) 2007-10-30 US disclosed
US-7175670-B2 Couplers of 2,3,5-triaminopyridine and use of the same for dyeing keratin fibers L'OREAL S.A. (FR) 2007-02-13 US disclosed
US-20060053568-A1 Novel heteroaromatic binuclear black direct dyes L'OREAL S.A. (FR) 2006-03-16 US disclosed
EP-1634574-A2 Novel black two ring heteroaromatic direct dyes L'OREAL (FR) 2006-03-15 EP disclosed
US-20050081313-A1 Novel couplers of 2,3,5-triaminopyridine and use of the same for dyeing keratin fibers L'OREAL S.A. (FR) 2005-04-21 US disclosed
EP-1459732-A1 Dye composition comprising at least one heterocyclic oxidation base and at least one 2,3,5-triaminopyridine as coupler L'OREAL (FR) 2004-09-22 EP disclosed
EP-1457199-A1 Coupling agents having a 2,3,5-triaminopyridine structure and their use for dyeing keratinic fibres L'OREAL (FR) 2004-09-15 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-20060053568-A1 Novel heteroaromatic binuclear black direct dyes KRT18, MKI67, TUBA4A MEN1 4099/4885KMT2A 1536/4885ALDH1A1 2316/4885

“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.