SCHEMBL4458986

SCHEMBL4458986

NC(=O)CNC(=O)c1ccc[nH]c1=S

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.54
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
GLS O94925 1/20 0.47
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TYK2 P29597 1/20 0.38
F10 P00742 1/20 0.36
NAPRT Q6XQN6 1/20 0.35
HPGDS O60760 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SPHK2 Q9NRA0 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34

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
SCHEMBL18985201 0.86 GAA (0.59) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL12062497 0.85 GAA (0.58) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL31739261 0.82 GAA (0.50) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL9936614 0.81 GAA (0.56) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL9935989 0.79 GAA (0.59) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL18985198 0.79 ALDH1A1 (0.49) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL9935825 0.78 GAA (0.57) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL9936906 0.77 GAA (0.51) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL9937087 0.77 KMT2A (0.59) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL9936307 0.77 GAA (0.56) GAAMAPTKDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651897-B1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS OREAL (FR) 2020-04-01 EP claimed
EP-2651897-A1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS L'Oréal (FR) 2013-10-23 EP claimed
WO-2012080075-A1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS L'OREAL (FR) 2012-06-21 WO claimed
US-20240293301-A1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS L'OREAL (FR) 2024-09-05 US disclosed
US-20210401709-A1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS L'ORÉAL (FR) 2021-12-30 US disclosed
US-11052028-B2 Process for depigmenting keratin materials using thiopyridinone compounds L'OREAL (FR) 2021-07-06 US disclosed
EP-2651897-B1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS OREAL (FR) 2020-04-01 EP disclosed
US-20160045420-A1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS L'OREAL (FR) 2016-02-18 US disclosed
US-20160045420-A1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS L'OREAL (FR) 2016-02-18 US disclosed
US-9138392-B2 Process for depigmenting keratin materials using thiopyridinone compounds L'OREAL (FR) 2015-09-22 US disclosed
US-9138392-B2 Process for depigmenting keratin materials using thiopyridinone compounds L'OREAL (FR) 2015-09-22 US disclosed
US-8076372-B2 Acythiols and component thiol compositions as anti-HIV and anti-retroviral agents GOVERNMENT OF THE UNITED STATES (US) 2011-12-13 US disclosed
US-20090247473-A1 ACYTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS THE GOVERNMENT OF THE U.S.A.,AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH & HUMAN SERVICES (US) 2009-10-01 US disclosed
US-20090247473-A1 ACYTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS THE GOVERNMENT OF THE U.S.A.,AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH & HUMAN SERVICES (US) 2009-10-01 US disclosed
US-7528274-B2 Acylthiols and component thiol compositions as anti-HIV and anti-retroviral agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-05-05 US disclosed
US-7528274-B2 Acylthiols and component thiol compositions as anti-HIV and anti-retroviral agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-05-05 US disclosed
EP-1425262-A4 ACYLTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS US GOV HEALTH & HUMAN SERV (US) 2006-03-08 EP disclosed
US-20050020831-A1 Acylthiols and component thiol compositions as anti-hiv and anti-retroviral agents GOVERNMENT OF THE UNITED STATES 2005-01-27 US disclosed
EP-1425262-A1 ACYLTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS The Gov. of USA, as represented by the Secretary, Dept. of Health and Human services, National Institutes of Health (US) 2004-06-09 EP disclosed
WO-2003014062-A1 ACYLTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-02-20 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 (6 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-20160045420-A1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS CBR3, RTN3, HRH4 GAA 4768/4885MAPT 1622/4885KDM4E 588/4885
US-20240293301-A1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS CBR3, RTN3, HRH4 GAA 4771/4885MAPT 1629/4885KDM4E 571/4885
US-20090247473-A1 ACYTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS ZC3HAV1, ZFP3, ATL3 GAA 2404/4885MAPT 2354/4885KDM4E 2461/4885
US-20210401709-A1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS CBR3, HRH4, RTN3 GAA 4751/4885MAPT 1383/4885KDM4E 425/4885
US-11052028-B2 Process for depigmenting keratin materials using thiopyridinone compounds KRT18, PKN1, PTMA GAA 2542/4885MAPT 232/4885KDM4E 126/4885
US-20050020831-A1 Acylthiols and component thiol compositions as anti-hiv and anti-retroviral agents ZC3HAV1, ACAT2, ACAT1 GAA 1667/4885MAPT 1758/4885KDM4E 2050/4885

“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.