SCHEMBL454928

SCHEMBL454928

Nc1ccc(N)c(C=NNC(=O)c2ccc(O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
GCGR P47871 2/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 4/20 0.52
POLB P06746 4/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
ATM Q13315 1/20 0.52
SIRT1 Q96EB6 1/20 0.51
HTT P42858 1/20 0.50

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
SCHEMBL10773642 0.78 RAB9A (0.59) KDM1AMAOAMAOBGCGRNPC1
SCHEMBL10522610 0.78 RAB9A (0.59) KDM1AMAOAMAOBGCGRNPC1
SCHEMBL20968353 0.77 NPC1 (0.55) KDM1AMAOAMAOBGCGRNPC1
SCHEMBL19283328 0.77 KDM1A (0.70) KDM1AMAOAMAOBGCGRNPC1
SCHEMBL19283329 0.77 KDM1A (0.70) KDM1AMAOAMAOBGCGRNPC1
SCHEMBL6569742 0.77 KDM1A (0.79) KDM1AMAOAMAOBGCGRNPC1
SCHEMBL6569739 0.77 KDM1A (0.79) KDM1AMAOAMAOBGCGRNPC1
SCHEMBL28528684 0.77 SIRT1 (0.80) KDM1AMAOAMAOBGCGRNPC1
SCHEMBL20968356 0.76 GCGR (0.52) KDM1AMAOAMAOBGCGRNPC1
SCHEMBL20968393 0.75 NPC1 (0.56) GCGRNPC1RAB9ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
EP-2421501-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
US-8034128-B2 Thickened hair colourant and bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 2011-10-11 US disclosed
US-8034127-B2 Thickened hair colourant and bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 2011-10-11 US disclosed
US-8029578-B2 Thickened hair colourant and bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 2011-10-04 US disclosed
US-8002850-B2 Powdered hair coloring and bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 2011-08-23 US disclosed
US-7988740-B2 Keratin dyeing compositions comprising a radical scavenger and use thereof THE PROCTER & GAMBLE COMPANY (US) 2011-08-02 US disclosed
US-7985266-B2 Keratin dyeing compositions comprising a radical scavenger and a chelant and use thereof THE PROCTER & GAMBLE COMPANY (US) 2011-07-26 US disclosed
US-20110168201-A1 THICKENED HAIR COLOURANT AND BLEACHING COMPOSITIONS WELLA OPERATIONS US, LLC 2011-07-14 US disclosed
WO-2011085140-A1 THICKENED HAIR COLOURANT AND BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2011-07-14 WO disclosed
WO-2011034802-A1 THICKENED HAIR COLOURANT AND BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2011-03-24 WO disclosed
US-20110067722-A1 Thickened Hair Colourant and Bleaching Compositions WELLA OPERATIONS US, LLC 2011-03-24 US disclosed
US-20110067723-A1 Thickened Hair Colourant and Bleaching Compositions WELLA OPERATIONS US, LLC 2011-03-24 US disclosed
WO-2011034868-A1 THICKENED HAIR COLOURANT AND BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2011-03-24 WO disclosed
EP-2298417-A1 Thickened hair colourant and bleaching compositions The Procter & Gamble Company (US) 2011-03-23 EP disclosed
US-20110035885-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and Use Thereof NOXELL CORPORATION 2011-02-17 US disclosed
US-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof NOXELL CORPORATION 2011-02-17 US disclosed
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP disclosed
US-7288123-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-10-30 US disclosed
US-20060042024-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof NOXELL CORPORATION 2006-03-02 US 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-20060042024-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, NOX5, JUP KDM1A 457/4885MAOA 435/4885MAOB 896/4885
US-20110035885-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and Use Thereof KRT18, LPO, CYB5R3 KDM1A 472/4885MAOA 385/4885MAOB 625/4885
US-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof KRT18, LPO, KRTCAP2 KDM1A 214/4885MAOA 400/4885MAOB 752/4885

“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.