SCHEMBL5065113

SCHEMBL5065113

CN(C)C(=O)c1cc(O)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.47
HSP90AA1 P07900 2/20 0.47
MAP4K1 Q92918 11/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 4/20 0.42
ABL1 P00519 1/20 0.42
PDK4 Q16654 3/20 0.40
PDK1 Q15118 2/20 0.40
PDK3 Q15120 2/20 0.40
CYP2C9 P11712 1/20 0.40
CFTR P13569 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL1708822 0.82 KMT2A (0.57) MAP4K1L3MBTL1CYP3A4ABL1CYP2C9
SCHEMBL3806699 0.81 MAPT (0.51) MAP4K1L3MBTL1CYP3A4ABL1CFTR
SCHEMBL1853218 0.81 ALDH1A1 (0.46) PDK2HSP90AA1MAP4K1L3MBTL1CYP3A4
SCHEMBL23933082 0.80 NOS2 (0.50) PDK2HSP90AA1MAP4K1CYP3A4PDK4
SCHEMBL4580679 0.80 L3MBTL1 (0.59) PDK2HSP90AA1L3MBTL1CYP3A4PDK4
SCHEMBL11576641 0.80 PDK2 (0.68) PDK2HSP90AA1CYP3A4PDK4PDK1
SCHEMBL5065100 0.79 PDK2 (0.46) PDK2HSP90AA1L3MBTL1CYP3A4PDK4
SCHEMBL7452357 0.79 KEAP1 (0.61) MAP4K1CYP3A4ABL1CFTRALDH1A1
SCHEMBL17774972 0.79 MAP4K1 (0.44) PDK2HSP90AA1MAP4K1L3MBTL1CYP3A4
SCHEMBL3489124 0.79 MAP4K1 (0.44) MAP4K1L3MBTL1CYP3A4ABL1CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 US disclosed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-20060205726-A1 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2006-09-14 US disclosed
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 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-20060205726-A1 Ester derivatives and medical use thereof MTTP, LIPC, CETP PDK2 1561/4885HSP90AA1 496/4885MAP4K1 1938/4885
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR PDK2 1107/4885HSP90AA1 3169/4885MAP4K1 1687/4885

“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.