SCHEMBL2925965

SCHEMBL2925965

CC(C)NNc1c([N+](=O)[O-])c(=O)n2n1CCC2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
DPP4 P27487 1/20 0.31
LMNA P02545 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
SCHEMBL2928777 0.84 DPP4 (0.37) ALDH1A1SMN1; SMN2HPGDDPP4LMNA
SCHEMBL2928792 0.77 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2HPGD
SCHEMBL2925963 0.69
SCHEMBL2929718 0.66 HTT (0.37) ALDH1A1LMNA
SCHEMBL180595 0.60
Hydrochloric Acid SCHEMBL3130933 0.59
SCHEMBL946041 0.55 MAPT (0.32)
SCHEMBL2445185 0.54 KDM4E (0.49) ALDH1A1SMN1; SMN2LMNA
SCHEMBL20430407 0.52 KMT2A (0.30)
SCHEMBL10625381 0.52 PKM (0.38) ALDH1A1SMN1; SMN2LMNA

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 23 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-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-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-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
EP-1550656-B1 fused 4-5-diamino-n,n-dihydro-pyrazol-3-one derivatives for use in composition for dyeing keratin fibres OREAL (FR) 2009-05-06 EP 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
EP-1733713-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone dervative, a coupling agent and a selected surface-active agent L'OREAL (FR) 2006-12-20 EP disclosed
EP-1733714-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and a polyol L'OREAL (FR) 2006-12-20 EP disclosed
EP-1733715-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and a heterocyclic direct dye L'OREAL (FR) 2006-12-20 EP disclosed
EP-1733716-A1 Composition for dyeing keratin fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and an associative polyurethane polymer L'OREAL (FR) 2006-12-20 EP 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-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-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
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
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-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

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

For each of this compound's patents that has machine-readable text (3 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 ALDH1A1 635/4885SMN1; SMN2 4349/4885HPGD 838/4885
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 ALDH1A1 802/4885SMN1; SMN2 4694/4885HPGD 682/4885
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 ALDH1A1 260/4885SMN1; SMN2 4506/4885HPGD 539/4885

“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.