SCHEMBL6736005

SCHEMBL6736005

O=C1N=NC(c2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR2B P41595 1/20 0.40
GAA P10253 4/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GFER P55789 1/20 0.35
POLB P06746 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 2/20 0.32
CFTR P13569 1/20 0.32
GOPC Q9HD26 1/20 0.32

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
SCHEMBL6730741 0.79 MEN1 (0.41) MAPTLMNACYP1A2CYP3A4GAA
SCHEMBL8011185 0.76 ALDH1A1 (0.46) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL7331459 0.71 MAPT (0.41) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL2203803 0.70 HPGD (0.36) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL6734932 0.68 KMT2A (0.41) MAPTMAPK1GAAKMT2AKDM4E
SCHEMBL852004 0.68 ALDH1A1 (0.39) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL17178589 0.65 KDM1A (0.34) MAPTGAAKMT2AKDM4EALDH1A1
SCHEMBL7815133 0.64 CA2 (0.37) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL10833990 0.61 RAB9A (0.40) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL10945637 0.61 KMT2A (0.42) MAPTLMNAMAPK1GAAKMT2A

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 6 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
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
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

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

For each of this compound's patents that has machine-readable text (2 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 591/4885LMNA 1113/4885TP53 1028/4885
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE KRT18, KLK5, H1-5 MAPT 562/4885LMNA 1035/4885TP53 1030/4885

“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.