SCHEMBL4598276

SCHEMBL4598276

COc1cccc(Nc2cccc(N)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
CYP3A4 P08684 1/20 0.68
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPT P10636 2/20 0.60
GAA P10253 2/20 0.60
GFER P55789 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPK1 P28482 1/20 0.59
POLB P06746 1/20 0.59
RAPGEF4 Q8WZA2 1/20 0.56
MTNR1B P49286 4/20 0.55
MTNR1A P48039 3/20 0.55
ROCK1 Q13464 1/20 0.55
NPC1 O15118 2/20 0.55
IDO1 P14902 1/20 0.52
EGFR P00533 2/20 0.51
CDK5 Q00535 1/20 0.51

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
SCHEMBL13921817 0.89 KCNH3 (0.65) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL1085867 0.88 MEN1 (0.71) MEN1KMT2AMAPTGAAGFER
SCHEMBL6051261 0.87 NR4A1 (0.67) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL4598738 0.87 NR4A1 (0.67) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL13302353 0.86 MEN1 (0.69) MEN1KMT2AMAPTGAAGFER
SCHEMBL1921496 0.84 MTNR1B (0.72) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL917608 0.82 MTNR1B (0.65) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL30080139 0.82 MTNR1B (0.65) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL13921885 0.82 KCNH3 (0.58) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL29371962 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100544701-C Hair colouring compositions based on diaminopyrazole compounds PROCTER & GAMBLE (US) 2009-09-30 CN claimed
EP-1480605-B1 HAIR COLORING COMPOSITIONS BASED ON DIAMINOPYRAZOLE COMPOUNDS PROCTER & GAMBLE (US) 2008-04-09 EP claimed
CN-101137345-A Novel hair coloring compositions for oxidative hair dyeing PROCTER & GAMBLE (US) 2008-03-05 CN claimed
US-7303592-B2 Hair coloring compositions for use in oxidative hair dyeing THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
EP-1855644-A2 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING The Procter and Gamble Company (US) 2007-11-21 EP claimed
WO-2006099115-A2 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING THE PROCTER & GAMBLE COMPANY (US) 2006-09-21 WO claimed
CN-1678283-A Hair coloring compositions based on diaminopyrazole compounds PROCTER & GAMBLE (US) 2005-10-05 CN claimed
US-20050188480-A1 Novel hair coloring compositions for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2005-09-01 US claimed
US-6887280-B2 Hair coloring compositions for use in oxidative hair dyeing THE PROCTER & GAMBLE COMPANY (US) 2005-05-03 US claimed
EP-1480605-A1 HAIR COLORING COMPOSITIONS BASED ON DIAMINOPYRAZOLE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2004-12-01 EP claimed
US-20030196280-A1 Novel hair coloring compositions for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2003-10-23 US claimed
WO-2003075872-A1 HAIR COLORING COMPOSITIONS BASED ON DIAMINOPYRAZOLE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2003-09-18 WO claimed
US-11714080-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-08-01 US disclosed
US-11692998-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-07-04 US disclosed
US-20210215670-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 US disclosed
US-20210215671-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 US disclosed
US-6887280-B2 Hair coloring compositions for use in oxidative hair dyeing THE PROCTER & GAMBLE COMPANY (US) 2005-05-03 US disclosed
EP-1480605-A1 HAIR COLORING COMPOSITIONS BASED ON DIAMINOPYRAZOLE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2004-12-01 EP disclosed
US-20030196280-A1 Novel hair coloring compositions for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2003-10-23 US disclosed
WO-2003075872-A1 HAIR COLORING COMPOSITIONS BASED ON DIAMINOPYRAZOLE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2003-09-18 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-20030196280-A1 Novel hair coloring compositions for use in oxidative hair dyeing CBR1, CBR3, CYC1 ALDH1A1 9/4885CYP3A4 290/4885MEN1 4596/4885
US-20050188480-A1 Novel hair coloring compositions for use in oxidative hair dyeing COXFA4L2, TYR, GPX4 ALDH1A1 89/4885CYP3A4 310/4885MEN1 4338/4885

“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.