SCHEMBL460884

SCHEMBL460884

Nc1nc(=O)c(N)c(N)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.39
CYP3A4 P08684 1/20 0.39
BLM P54132 1/20 0.39
MAPT P10636 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CDK2 P24941 1/20 0.35
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
HBB P68871 1/20 0.34
HIF1A Q16665 1/20 0.34
QTRT1 Q9BXR0 1/20 0.33
DYRK1A Q13627 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL14217450 0.75 TYMP (0.43) PNPCYP3A4BLMMAPTCDK1
SCHEMBL3180702 0.75 PNP (0.37) PNPCYP3A4BLMMAPTCDK1
SCHEMBL7167381 0.75 PNP (0.43) PNPCYP3A4BLMMAPTCDK1
SCHEMBL10780551 0.72 CDK1 (0.53) PNPCYP3A4BLMMAPTCDK1
SCHEMBL29952359 0.72 PNP (0.34) PNPCYP3A4BLMMAPTCDK1
SCHEMBL8725004 0.70 HTT (0.39) MAPTALDH1A1L3MBTL1KDM4EXDH
SCHEMBL17844454 0.68 ALDH1A1 (0.49) PNPCYP3A4BLMMAPTCDK1
SCHEMBL8495863 0.66 PNP (0.31) PNPCYP3A4BLM
SCHEMBL18605595 0.66 PNP (0.32) PNPCYP3A4BLMKDM4E
SCHEMBL731953 0.65

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 672 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
CN-100549003-C 3-aminophenol derivatives and keratin fibre colorants comprising these compounds P & G CLAIROL INC (US) 2009-10-14 CN claimed
US-7491244-B2 Oxidizing hair coloring agents containing m-aminophenol derivatives THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US claimed
EP-1670423-B1 DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-10-08 EP claimed
CN-100358887-C m-aminophenol derivatives and dyes containing these compounds P & G CLAIROL INC (US) 2008-01-02 CN claimed
CN-100349886-C 1, 3-dihydroxybenzene derivatives and coloring agents containing the same WELLA AG (US) 2007-11-21 CN claimed
CN-100346768-C Oxidation hair dye agent comprising 3-aminophenol derivative and novel 3-aminophenol derivative P & G CLAIROL INC (US) 2007-11-07 CN claimed
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US claimed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP claimed
WO-2007020565-A1 OXIDIZING HAIR COLORING AGENTS CONTAINING M-AMINOPHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 2007-02-22 WO claimed
WO-2003017955-A1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2003-03-06 WO claimed
US-20030041392-A1 Process for making 1,4-diamino-2-methoxymethylbenzene and salts thereof and compositions and methods for dyeing keratin fibers containing same Wella GmbH (DE) 2003-03-06 US claimed
WO-2003018571-A1 M-AMINOPHENOL DERIVATIVES AND COLOURING AGENTS CONTAINING THEM WELLA AKTIENGESELLSCHAFT (DE) 2003-03-06 WO claimed
WO-2002096854-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-12-05 WO claimed
WO-2002096901-A2 1,3-DIHYDROXYBENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-12-05 WO claimed
EP-1261599-A1 DYES FOR KERATIN FIBRES CONTAINING 1,3-DIAMINO-4-HETEROARYLBENZENE DERIVATIVES AND NOVEL 1,3-DIAMINO-4-HETEROARYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2002-12-04 EP claimed
WO-2002062307-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-08-15 WO claimed
WO-2002062783-A1 DYES FOR KERATIN FIBRES CONTAINING 1,3-DIAMINO-4-HETEROARYLBENZENE DERIVATIVES AND NOVEL 1,3-DIAMINO-4-HETEROARYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-08-15 WO claimed
US-4670561-A CHEMICAL REDUCTION, HYDROGENATION BLUM HOLGER (DE) 1987-06-02 US claimed
US-4043750-A OXIDATION HENKEL & CIE GMBH (DT) 1977-08-23 US claimed

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-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds KRT18, DSP, DSG1 PNP 2035/4885CYP3A4 730/4885BLM 3384/4885
US-20030041392-A1 Process for making 1,4-diamino-2-methoxymethylbenzene and salts thereof and compositions and methods for dyeing keratin fibers containing same KRT18, SCNN1B, DDAH1 PNP 1019/4885CYP3A4 1015/4885BLM 3831/4885

“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.