SCHEMBL1708822

SCHEMBL1708822

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
THRB P10828 2/20 0.57
RECQL P46063 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
USP2 O75604 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
APEX1 P27695 1/20 0.57
BLM P54132 1/20 0.57
MCL1 Q07820 1/20 0.57
MAP4K1 Q92918 12/20 0.46
CYP3A4 P08684 4/20 0.43
ABL1 P00519 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
TNF P01375 1/20 0.42
HSPD1 P10809 1/20 0.42

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
SCHEMBL3806699 0.82 MAPT (0.51) THRBTDP1MAPTMAP4K1CYP3A4
SCHEMBL509010 0.82 CASP1 (0.45) KMT2AMEN1THRBRECQLTDP1
SCHEMBL17774838 0.82 KDM4E (0.60) KMT2AMEN1THRBRECQLTDP1
SCHEMBL5065113 0.82 PDK2 (0.47) MAP4K1CYP3A4ABL1ALDH1A1CYP2C9
SCHEMBL1853218 0.82 ALDH1A1 (0.46) MAPTMAP4K1CYP3A4ABL1ALDH1A1
SCHEMBL7452357 0.81 KEAP1 (0.61) KMT2AMAP4K1CYP3A4ABL1ALDH1A1
SCHEMBL1516638 0.81 ALDH1A1 (0.64) POLBMAPTMAP4K1CYP3A4ABL1
SCHEMBL17774972 0.81 MAP4K1 (0.44) KMT2AMEN1TDP1MAPTMAP4K1
SCHEMBL3489124 0.81 MAP4K1 (0.44) KMT2AMEN1MAP4K1CYP3A4ABL1
SCHEMBL1504203 0.81 HPGD (0.54) KMT2AMEN1RECQLTDP1MAPT

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 11 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-20150062519-A1 ALIGNMENT FILM, COMPOSITION FOR FORMING ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE JAPAN DISPLAY INC (JP) 2015-03-05 US disclosed
US-20150062519-A1 ALIGNMENT FILM, COMPOSITION FOR FORMING ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE JAPAN DISPLAY INC (JP) 2015-03-05 US disclosed
WO-2014202779-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) 2014-12-24 WO disclosed
US-8906474-B2 Alignment film, composition for forming alignment film and liquid crystal display device JAPAN DISPLAY INC. (JP) 2014-12-09 US disclosed
US-8906474-B2 Alignment film, composition for forming alignment film and liquid crystal display device JAPAN DISPLAY INC. (JP) 2014-12-09 US disclosed
US-20120088040-A1 ALIGNMENT FILM, COMPOSITION FOR FORMING ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE MAGNOLIA WHITE CORPORATION (JP) 2012-04-12 US disclosed
US-20120088040-A1 ALIGNMENT FILM, COMPOSITION FOR FORMING ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE MAGNOLIA WHITE CORPORATION (JP) 2012-04-12 US 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 (1 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-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 KMT2A 1157/4885MEN1 4240/4885THRB 3845/4885

“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.