SCHEMBL2932348

SCHEMBL2932348

O=[N+]([O-])c1c(Br)nn(CCCO)c1NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.46
POLB P06746 2/20 0.44
CYP3A4 P08684 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 5/20 0.40
MAPK1 P28482 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4601226 0.93 POLB (0.46) HTTPOLBCYP3A4MAPTKDM4E
SCHEMBL6755855 0.93 HTT (0.47) HTTPOLBCYP3A4MAPTKDM4E
SCHEMBL13356525 0.87 HTT (0.47) HTTPOLBCYP3A4MAPTKDM4E
SCHEMBL2923168 0.86 HTT (0.42) HTTPOLBCYP3A4MAPTKDM4E
SCHEMBL1026866 0.86 KDM4E (0.45) HTTPOLBCYP3A4MAPTKDM4E
SCHEMBL27603447 0.86 MAPT (0.45) HTTPOLBCYP3A4MAPTKDM4E
SCHEMBL8919318 0.85 HTT (0.44) HTTPOLBCYP3A4MAPTKDM4E
SCHEMBL8920097 0.84 CYP3A4 (0.44) HTTPOLBCYP3A4MAPTKDM4E
SCHEMBL5386521 0.83 POLB (0.40) HTTPOLBCYP3A4MAPTKDM4E
SCHEMBL5416063 0.83 KDM4E (0.43) HTTPOLBCYP3A4MAPTKDM4E

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1733713-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone dervative, a coupling agent and a selected surface-active agent OREAL (FR) 2010-06-02 EP disclosed
EP-1733714-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and a polyol OREAL (FR) 2010-05-19 EP disclosed
EP-1733716-B1 Composition for dyeing keratin fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and an associative polyurethane polymer OREAL (FR) 2010-05-19 EP disclosed
EP-1728500-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye OREAL (FR) 2010-01-27 EP disclosed
EP-1733715-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and a heterocyclic direct dye OREAL (FR) 2010-01-27 EP disclosed
EP-1728500-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye OREAL (FR) 2010-01-27 EP disclosed
EP-1733715-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and a heterocyclic direct dye OREAL (FR) 2010-01-27 EP disclosed
EP-1728499-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative and a 2,3-diaminopyridine coupler OREAL (FR) 2010-01-06 EP disclosed
EP-1728499-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative and a 2,3-diaminopyridine coupler OREAL (FR) 2010-01-06 EP disclosed
US-7642360-B2 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. (FR) 2010-01-05 US disclosed
US-20060277691-A1 Composition for dyeing keratin fibers, comprising a diamino-N,N-dihydropyrazolone compound, a coupler, and a polyol L'OREAL S.A. (FR) 2006-12-14 US disclosed
US-20060277693-A1 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler and at least one associative polyurethane polymer L'OREAL S.A. (FR) 2006-12-14 US disclosed
US-20060277692-A1 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one surfactant L'OREAL S.A. (FR) 2006-12-14 US disclosed
EP-1728499-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative and a 2,3-diaminopyridine coupler L'OREAL (FR) 2006-12-06 EP disclosed
EP-1728500-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye L'OREAL (FR) 2006-12-06 EP disclosed
US-20050166335-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. (FR) 2005-08-04 US disclosed
EP-1550656-A1 4-5-diamino-n,n-dihydro-pyrazol-3-one derivatives for use in composition for dyeing keratin fibres L'OREAL (FR) 2005-07-06 EP disclosed
US-20040103487-A1 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL S.A. (FR) 2004-06-03 US disclosed
EP-1362035-A1 DIAMINOPYRAZOLE COMPOUNDS AND THE USE THEREOF IN THE OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2003-11-19 EP disclosed
WO-2002066441-A1 DIAMINOPYRAZOLE COMPOUNDS AND THE USE THEREOF IN THE OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2002-08-29 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 (5 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-20060277691-A1 Composition for dyeing keratin fibers, comprising a diamino-N,N-dihydropyrazolone compound, a coupler, and a polyol KRT18, C9, NDUFA10 HTT 2572/4885POLB 247/4885CYP3A4 2293/4885
US-20060277692-A1 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one surfactant KRT18, DSP, DSG1 HTT 3330/4885POLB 449/4885CYP3A4 3660/4885
US-20050166335-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative KRT18, DAO, AOC1 HTT 2367/4885POLB 236/4885CYP3A4 1608/4885
US-20060277693-A1 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler and at least one associative polyurethane polymer KRT18, PRKDC, DSP HTT 2398/4885POLB 208/4885CYP3A4 2698/4885
US-20040103487-A1 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres KRT18, AOC1, DPYD HTT 4838/4885POLB 296/4885CYP3A4 484/4885

“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.