SCHEMBL9936307

SCHEMBL9936307

O=C(NCCCO)c1ccc[nH]c1=S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
HTT P42858 3/20 0.52
ALDH1A1 P00352 2/20 0.52
APOBEC3G Q9HC16 1/20 0.52
GLS O94925 1/20 0.52
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.45
CDK1 P06493 1/20 0.44
ALOX5 P09917 1/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 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
SCHEMBL9935989 0.91 GAA (0.59) GAAHTTALDH1A1APOBEC3GGLS
SCHEMBL9936025 0.87 HTT (0.64) GAAHTTALDH1A1APOBEC3GGLS
SCHEMBL9936501 0.85 HTT (0.58) GAAHTTALDH1A1APOBEC3GGLS
SCHEMBL9936633 0.84 NAAA (0.59) GAAHTTALDH1A1APOBEC3GGLS
SCHEMBL9937447 0.84 ALDH1A1 (0.56) GAAHTTALDH1A1APOBEC3GGLS
SCHEMBL9936178 0.84 NAAA (0.59) GAAHTTALDH1A1APOBEC3GGLS
SCHEMBL9935825 0.83 GAA (0.57) GAAHTTALDH1A1APOBEC3GGLS
SCHEMBL9937235 0.83 GAA (0.52) GAAHTTALDH1A1APOBEC3GGLS
SCHEMBL9936998 0.81 HPGD (0.61) GAAHTTALDH1A1APOBEC3GGLS
SCHEMBL12062497 0.81 GAA (0.58) GAAHTTALDH1A1APOBEC3GGLS

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 12 patents. 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
WO-2012080075-A1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS L'OREAL (FR) 2012-06-21 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 (4 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 4768/4885HTT 1773/4885ALDH1A1 1647/4885
US-20240293301-A1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS CBR3, RTN3, HRH4 GAA 4771/4885HTT 1842/4885ALDH1A1 1679/4885
US-20210401709-A1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS CBR3, HRH4, RTN3 GAA 4751/4885HTT 1473/4885ALDH1A1 1705/4885
US-11052028-B2 Process for depigmenting keratin materials using thiopyridinone compounds KRT18, PKN1, PTMA GAA 2542/4885HTT 1114/4885ALDH1A1 1269/4885

“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.