SCHEMBL6727772

SCHEMBL6727772

O=C1C(=O)N(c2ccc(Cl)cc2)N=C1c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RECQL P46063 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MCL1 Q07820 1/20 0.42
KDM4E B2RXH2 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39

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
SCHEMBL6734876 0.87 ALDH1A1 (0.47) MEN1KMT2ATDP1POLBL3MBTL1
SCHEMBL6734855 0.87 ALDH1A1 (0.45) PTGS1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL6731618 0.82 NPBWR1 (0.48) PTGS1MEN1KMT2ATDP1POLB
SCHEMBL6727533 0.81 MEN1 (0.48) MEN1KMT2ATDP1POLBL3MBTL1
SCHEMBL6735096 0.76 MEN1 (0.46) MEN1KMT2ATDP1POLBL3MBTL1
SCHEMBL9382307 0.73 KMT2A (0.52) PTGS1MEN1KMT2ATDP1POLB
SCHEMBL6735332 0.72 ALDH1A1 (0.42) MEN1KMT2ATDP1POLBL3MBTL1
SCHEMBL6733231 0.72 MAPT (0.46) MEN1KMT2ATDP1L3MBTL1CACNA1B
SCHEMBL6728069 0.72 MAPT (0.46) MEN1KMT2ATDP1L3MBTL1CACNA1B
SCHEMBL6731277 0.69 AMY1A (0.47) ALDH1A1MAPTRAB9ASMN1; SMN2CYP2C9

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 PTGS1 1992/4885MEN1 3401/4885KMT2A 1376/4885
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE KRT18, KLK5, H1-5 PTGS1 2538/4885MEN1 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.