Piroctone

Piroctone

SCHEMBL457354

Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.NCCO.S

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MPL

The experimentally established mechanism targets of Piroctone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
IDH1 O75874 18/20 0.43

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
Piroctone SCHEMBL2137231 0.99 KDM4E (0.44) KDM4ELMNATP53CYP1A2ALOX12
Piroctone SCHEMBL2843 0.99 KDM4E (0.44) KDM4ELMNATP53CYP1A2ALOX12
Piroctone SCHEMBL4728215 0.99 KDM4E (0.44) KDM4ELMNATP53CYP1A2ALOX12
Piroctone SCHEMBL20598939 0.93 KDM4E (0.40) KDM4ELMNATP53CYP1A2ALOX12
Piroctone SCHEMBL30969893 0.91 IDH1 (0.48) IDH1
Piroctone SCHEMBL3588 0.91 IDH1 (0.50) IDH1
Piroctone SCHEMBL7568492 0.91 IDH1 (0.50) IDH1
Piroctone SCHEMBL28331516 0.90 IDH1 (0.47) IDH1
Piroctone SCHEMBL10357073 0.90 IDH1 (0.49) IDH1
Piroctone SCHEMBL1289257 0.90 IDH1 (0.49) IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186314-B2 Compositions and methods for sealing the surface of keratinous substrates L'OREAL (FR) 2015-11-17 US disclosed
CN-101332163-B Cosmetic hair compositions containing metal-oxide layered pigments and functionalized metal-oxide layered pigments and methods of use OREAL 2015-01-21 CN disclosed
US-8658140-B2 Compositions and methods for treating keratinous substrates L'OREAL (FR) 2014-02-25 US disclosed
US-8637489-B2 Clear carrier compositions for lipophilic compounds, and method of treating keratinous substrates using such compositions L'OREAL (FR) 2014-01-28 US disclosed
US-8632612-B2 Compositions for dyeing keratin fibers SEGETIS, INC. (US) 2014-01-21 US disclosed
US-8597668-B2 Clear carrier compositions for lipophilic compounds, and method of treating keratinous substrates using such compositions L'OREAL (FR) 2013-12-03 US disclosed
EP-2613760-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS Segetis, Inc. (US) 2013-07-17 EP disclosed
US-20130156716-A1 COMPOSITIONS FOR DYEING KERATIN FIBERS SEGETIS, INC. (US) 2013-06-20 US disclosed
US-20130149274-A1 COMPOSITIONS AND METHODS FOR SEALING THE SURFACE OF KERATINOUS SUBSTRATES L'OREAL S.A. (FR) 2013-06-13 US disclosed
WO-2012033813-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS SEGETIS, INC. (US) 2012-03-15 WO disclosed
US-20090074683-A1 COMPOSITIONS AND METHODS FOR TREATING KERATINOUS SUBSTRATES L'OREAL (FR) 2009-03-19 US disclosed
US-20090074700-A1 COMPOSITIONS AND METHODS FOR IMPARTING SHINE ONTO HAIR L'OREAL (FR) 2009-03-19 US disclosed
US-20090070945-A1 METHOD OF COLORING HAIR L'OREAL (FR) 2009-03-19 US disclosed
US-20090071493-A1 COMPOSITIONS AND METHODS FOR CONDITIONING HAIR L'OREAL (FR) 2009-03-19 US disclosed
WO-2009036061-A1 COMPOSITIONS AND METHODS FOR TREATING KERATINOUS SUBSTRATES L'OREAL (FR) 2009-03-19 WO disclosed
US-20090071495-A1 COMPOSITIONS AND METHOD FOR SHAPING AND STYLING HAIR L'OREAL (FR) 2009-03-19 US disclosed
CN-101332163-A Cosmetic hair compositions containing metal-oxide layered pigments and functionalized metal-oxide layered pigments and methods of use OREAL (FR) 2008-12-31 CN disclosed
US-20080299059-A1 COSMETIC COMPOSITIONS CONTAINING FUNCTIONALIZED METAL-OXIDE LAYERED PIGMENTS AND METHODS OF USE L'OREAL USA PRODUCTS, INC. (FR) 2008-12-04 US disclosed
US-20080299154-A1 COSMETIC HAIR COMPOSITIONS CONTAINING METAL-OXIDE LAYERED PIGMENTS AND METHODS OF USE L'OREAL USA PRODUCTS, INC. (US) 2008-12-04 US disclosed
EP-1997472-A1 Cosmetic hair compositions containing metal-oxide layered pigments and functionalized metal-oxide layered pigments and methods of use L'Oreal (FR) 2008-12-03 EP 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-20130156716-A1 COMPOSITIONS FOR DYEING KERATIN FIBERS KRT18, KRTCAP2, JUP KDM4E 1148/4885LMNA 230/4885TP53 795/4885
US-20130149274-A1 COMPOSITIONS AND METHODS FOR SEALING THE SURFACE OF KERATINOUS SUBSTRATES KRT18, PLOD3, DDC KDM4E 127/4885LMNA 703/4885TP53 1317/4885

“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.