SCHEMBL3141869

SCHEMBL3141869

CS(=O)(=O)OCCCn1nc(Br)c([N+](=O)[O-])c1N1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 2/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
MMP9 P14780 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL2923501 0.80 MEN1 (0.37) HTTCYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL2929425 0.80 MAPT (0.32) L3MBTL1MAPTNPSR1ALDH1A1LMNA
SCHEMBL14401659 0.80 HTT (0.37) HTTCYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL2929857 0.78 POLB (0.31) HTTALDH1A1LMNAKDM4EUSP2
SCHEMBL27622210 0.77 MAPT (0.39) HTTCYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL2926366 0.76 SMN1; SMN2 (0.34) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL4180955 0.76 KDM4E (0.31) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL2932350 0.72 HTT (0.41) HTTCYP1A2CYP2C19CYP2C9MAPT
SCHEMBL13356460 0.65 MEN1 (0.39) HTTCYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL25170227 0.65 CA12 (0.36) HTTCYP1A2L3MBTL1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1891192-B Composition for dyeing keratin fibers, comprising a diamino-n,n-dihydropyrazolone compound, a coupler, and a polyol OREAL 2011-11-16 CN 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-7582121-B2 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one heterocyclic direct dye L'OREAL S.A. (FR) 2009-09-01 US disclosed
US-7488355-B2 Composition for dyeing keratin fibers, comprising a diamino-N,N-dihydropyrazolone compound, a coupler, and a polyol L'OREAL S.A. (FR) 2009-02-10 US disclosed
US-7488356-B2 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) 2009-02-10 US disclosed
US-7485156-B2 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) 2009-02-03 US disclosed
US-20080071092-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. 2008-03-20 US disclosed
US-7285137-B2 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL, S.A. (FR) 2007-10-23 US disclosed
US-20070006398-A1 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one heterocyclic direct dye L'OREAL S.A. (FR) 2007-01-11 US disclosed
CN-1891192-A Composition for dyeing keratin fibers, comprising a diamino-n,n-dihydropyrazolone compound, a coupler, and a polyol OREAL (FR) 2007-01-10 CN 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 2572/4885CYP1A2 2747/4885CYP2C19 2230/4885
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 3330/4885CYP1A2 3432/4885CYP2C19 3723/4885
US-20080071092-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative KRT18, DAO, AOC1 HTT 2367/4885CYP1A2 1812/4885CYP2C19 1905/4885
US-20050166335-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative KRT18, DAO, AOC1 HTT 2367/4885CYP1A2 1812/4885CYP2C19 1905/4885
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 2398/4885CYP1A2 3184/4885CYP2C19 2520/4885
US-20070006398-A1 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one heterocyclic direct dye KRT18, DSP, DSG1 HTT 2210/4885CYP1A2 2601/4885CYP2C19 2699/4885

“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.