SCHEMBL9970786

SCHEMBL9970786

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.61
KDM4E B2RXH2 2/20 0.61
MAPT P10636 1/20 0.61
ALDH1A1 P00352 4/20 0.45
HTT P42858 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KEAP1 Q14145 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
PKM P14618 2/20 0.36
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
MAP4K1 Q92918 1/20 0.35
GLS O94925 1/20 0.35

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
SCHEMBL9970782 0.81 MAPT (0.56) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL18985307 0.80 GAA (0.56) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL19017275 0.80 GAA (0.51) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL21361326 0.78 GAA (0.53) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL21361323 0.78 GAA (0.53) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL9937465 0.78 MAPT (0.49) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL7506759 0.77 GAA (0.47) GAAKDM4EMAPTALDH1A1HTT
2-Mercaptonicotinic Acid SCHEMBL1289908 0.76 GAA (1.00) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL9936056 0.76 GAA (0.54) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL18985218 0.75 KDM4E (0.45) GAAKDM4EMAPTALDH1A1HTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160045420-A1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS CBR3, RTN3, HRH4 GAA 4768/4885KDM4E 588/4885MAPT 1622/4885
US-20210401709-A1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS CBR3, HRH4, RTN3 GAA 4751/4885KDM4E 425/4885MAPT 1383/4885
US-11052028-B2 Process for depigmenting keratin materials using thiopyridinone compounds KRT18, PKN1, PTMA GAA 2542/4885KDM4E 126/4885MAPT 232/4885

“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.