SCHEMBL112633

SCHEMBL112633

N#CSc1ccc(O)c2ncccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
HSP90AA1 P07900 4/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 3/20 0.51
MAPT P10636 3/20 0.51
BRD4 O60885 3/20 0.51
IDO1 P14902 2/20 0.51
METAP2 P50579 2/20 0.51
MPI P34949 1/20 0.51
METAP1 P53582 1/20 0.51
HSP90AB1 P08238 1/20 0.51
PSMB5 P28074 1/20 0.51
SLC6A2 P23975 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
COMT P21964 2/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 2/20 0.47

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
Cloxyquin SCHEMBL28072521 0.92 KDM4E (0.68) KDM4EL3MBTL1HSP90AA1LMNAHTT
SCHEMBL6624088 0.75 IDO1 (0.52) KDM4EMAPTIDO1GAAALDH1A1
SCHEMBL1187421 0.75 HSP90AA1 (0.61) KDM4EL3MBTL1HSP90AA1LMNAHTT
SCHEMBL1920452 0.74 KDM4E (0.70) KDM4EL3MBTL1HSP90AA1LMNAHTT
SCHEMBL4301084 0.73 HSP90AA1 (0.59) KDM4EL3MBTL1HSP90AA1LMNAHTT
SCHEMBL22604619 0.73 KDM4E (0.58) KDM4EL3MBTL1HSP90AA1LMNAHTT
SCHEMBL27816447 0.73 KDM4E (0.68) KDM4EL3MBTL1HSP90AA1LMNAHTT
Methane SCHEMBL27551425 0.73 KDM4E (0.68) KDM4EL3MBTL1HSP90AA1LMNAHTT
SCHEMBL7694506 0.72 KDM4E (0.61) KDM4EL3MBTL1HSP90AA1LMNAHTT
SCHEMBL145244 0.72 KDM4E (0.61) KDM4EL3MBTL1HSP90AA1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10729630-B2 Shaping keratin fibres using an active agent comprising at least two functional groups selected from: —C(OH)- and —C(=O)OH THE PROCTER & GAMBLE COMPANY (US) 2020-08-04 US claimed
CN-105828786-B Shaping keratin fibres using AN AN active agent comprising a functional group selected from-C (═ O) -, -C (═ O) -H and-C (═ O) -O-) 宝洁公司 2020-07-07 CN claimed
CN-105828793-B Shaping keratin fibres using sugar 宝洁公司 2019-06-18 CN claimed
EP-3082494-B1 METHOD FOR SHAPING FIBROUS MATERIAL PROCTER & GAMBLE (US) 2018-12-05 EP claimed
EP-3082746-B1 SHAPING KERATIN FIBRES USING AN AMINE OR A DIAMINE PROCTER & GAMBLE (US) 2018-11-28 EP claimed
EP-3082736-B1 SHAPING KERATIN FIBRES USING 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACID AND/OR 1,2,3,4-BUTANETETRACARBOXYLIC ACID PROCTER & GAMBLE (US) 2018-08-08 EP claimed
EP-3082747-B1 SHAPING KERATIN FIBRES USING A SUGAR PROCTER & GAMBLE (US) 2018-07-04 EP claimed
EP-3082731-B1 SHAPING KERATIN FIBRES USING AN ACTIVE AGENT COMPRISING AT LEAST TWO FUNCTIONAL GROUPS SELECTED FROM: -C(OH)- AND -C(=O)OH PROCTER & GAMBLE (US) 2018-07-04 EP claimed
EP-3082735-B1 SHAPING KERATIN FIBRES USING OXOETHANOIC ACID AND/OR DERIVATIVES THEREOF PROCTER & GAMBLE (US) 2018-05-02 EP claimed
US-9918921-B2 Methods for shaping fibrous material and treatment compositions therefor THE PROCTER & GAMBLE COMPANY (US) 2018-03-20 US claimed
WO-2015094757-A1 SHAPING KERATIN FIBRES USING A SUGAR THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed
WO-2015094787-A1 METHODS FOR SHAPING FIBROUS MATERIAL AND TREATMENT COMPOSITIONS THEREFOR THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed
WO-2015094759-A1 SHAPING KERATIN FIBRES USING AN ACTIVE AGENT COMPRISING AT LEAST TWO FUNCTIONAL GROUPS SELECTED FROM: -C(OH)- AND -C(=O)OH THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed
WO-2015094788-A1 METHODS FOR SHAPING FIBROUS MATERIAL AND TREATMENT COMPOSITIONS THEREFOR THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed
WO-2015095671-A1 SHAPING KERATIN FIBRES USING OXOETHANOIC ACID AND/OR DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed
WO-2015094784-A1 METHODS FOR SHAPING FIBROUS MATERIAL AND TREATMENT COMPOSITIONS THEREFOR THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed
US-20150173478-A1 Methods for Shaping Fibrous Material and Treatment Compositions Therefor THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-20150174029-A1 SHAPING KERATIN FIBRES USING AN ACTIVE AGENT COMPRISING AT LEAST TWO FUNCTIONAL GROUPS SELECTED FROM: -C(OH)- AND -C(=O)OH THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
WO-2015094756-A1 SHAPING KERATIN FIBRES USING AN AMINE OR A DIAMINE THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed
WO-2015094790-A1 METHODS FOR SHAPING FIBROUS MATERIAL AND TREATMENT COMPOSITIONS THEREFOR THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed

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-20150174029-A1 SHAPING KERATIN FIBRES USING AN ACTIVE AGENT COMPRISING AT LEAST TWO FUNCTIONAL GROUPS SELECTED FROM: -C(OH)- AND -C(=O)OH KRT18, CKAP4, JUP KDM4E 195/4885L3MBTL1 4733/4885HSP90AA1 1080/4885
US-10729630-B2 Shaping keratin fibres using an active agent comprising at least two functional groups selected from: —C(OH)- and —C(=O)OH KRT18, CKAP4, JUP KDM4E 181/4885L3MBTL1 4734/4885HSP90AA1 1021/4885

“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.