SCHEMBL6735987

SCHEMBL6735987

O=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.66
MEN1 O00255 8/20 0.66
KMT2A Q03164 8/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
ALDH1A1 P00352 6/20 0.66
LMNA P02545 5/20 0.66
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
HTT P42858 3/20 0.66
KDM4E B2RXH2 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
ALOX12 P18054 1/20 0.66
MCOLN3 Q8TDD5 1/20 0.66
GAA P10253 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SCN2A Q99250 1/20 0.48
PKM P14618 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL6731593 0.94 MEN1 (0.59) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6735288 0.88 MAPT (0.53) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6733817 0.87 KMT2A (0.55) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5711337 0.83 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6738293 0.83 MEN1 (0.51) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6738823 0.81 MEN1 (0.50) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6730982 0.80 APP (0.46) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6730667 0.80 MAPT (0.48) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6738605 0.79 CNR1 (0.46) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6735096 0.79 MEN1 (0.46) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6679923-B2 HAIR DYEING FORMULATION CONTAINING PYRAZOLIN-4,5-DIONES AND AT LEAST ONE AROMATIC PRIMARY AMINE ENABLES THE DYEING OF KERATIN FIBERS WITHOUT AND OXIDIZING AGENT IN SHADES WHICH ARE STRONG, VARIED, RESISTANT AND LESS SELECTIVE L'OREAL S.A. (FR) 2004-01-20 US disclosed
US-20020194685-A1 Composition for dyeing keratin fibres, comprising a pyrazoline-4, 5-dione and an aromatic primary amine L'OREAL S.A. (FR) 2002-12-26 US disclosed
US-6464732-B2 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-10-15 US disclosed
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE L'OREAL S.A. (FR) 2002-04-11 US disclosed
US-20020031536-A1 Cosmetic compositions based on 4,5-pyrazolinediones, novel 4,5-pyrazolinediones, process for their preparation and uses thereof L'OREAL SA 2002-03-14 US disclosed
US-6322775-B1 FOR COLORING THE SKIN AND/OR THE HAIR; SIDE EFFECTS REDUCTION; STABILITY L'OREAL S.A. (FR) 2001-11-27 US disclosed
EP-0888306-B1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF OREAL (FR) 2001-07-25 EP disclosed
EP-0981320-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE L'OREAL (FR) 2000-03-01 EP disclosed
EP-0888306-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1999-01-07 EP disclosed
WO-1998051268-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE L'OREAL (FR) 1998-11-19 WO disclosed
WO-1997035842-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1997-10-02 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 (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-20020194685-A1 Composition for dyeing keratin fibres, comprising a pyrazoline-4, 5-dione and an aromatic primary amine KRT18, KLK5, MARK1 MAPT 591/4885MEN1 3401/4885KMT2A 1376/4885
US-20020031536-A1 Cosmetic compositions based on 4,5-pyrazolinediones, novel 4,5-pyrazolinediones, process for their preparation and uses thereof PPARD, PLIN5, PDK4 MAPT 3025/4885MEN1 3928/4885KMT2A 2848/4885
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE KRT18, KLK5, H1-5 MAPT 562/4885MEN1 3896/4885KMT2A 1176/4885

“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.