SCHEMBL14817833

SCHEMBL14817833

CCCCNc1ccc2c3c(cccc13)C(=O)N(CCSSCCN1C(=O)c3cccc4c(NCCCC)ccc(c34)C1=O)C2=O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.82
MEN1 O00255 4/20 0.82
MAPT P10636 2/20 0.82
HTT P42858 2/20 0.82
MAPK1 P28482 2/20 0.82
L3MBTL1 Q9Y468 2/20 0.82
USP2 O75604 2/20 0.82
POLB P06746 2/20 0.82
RGS12 O14924 1/20 0.82
ATM Q13315 1/20 0.82
NPSR1 Q6W5P4 1/20 0.82
TLR9 Q9NR96 1/20 0.82
TDP1 Q9NUW8 1/20 0.82
DYRK3 O43781 1/20 0.71
RPS6KB1 P23443 1/20 0.71
EPHA2 P29317 1/20 0.71
FLT4 P35916 1/20 0.71
CSNK2A1 P68400 1/20 0.71
HDAC1 Q13547 4/20 0.64
HDAC6 Q9UBN7 4/20 0.64

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
SCHEMBL14817850 0.95 KMT2A (0.74) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL14817849 0.93 KMT2A (0.71) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL372370 0.90 KMT2A (1.00) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL29460431 0.90 KMT2A (1.00) KMT2AMEN1MAPTHTTMAPK1
Bromide SCHEMBL22582797 0.88 POLB (0.64) KMT2AMEN1MAPTHTTMAPK1
Bromide SCHEMBL22582789 0.88 POLB (0.64) KMT2AMEN1MAPTHTTMAPK1
Bromide SCHEMBL22582798 0.88 POLB (0.64) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL339370 0.88 POLB (0.64) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL2152826 0.88 MEN1 (0.64) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL7523337 0.87 KMT2A (0.84) KMT2AMEN1MAPTHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345652-B2 Composition for dyeing keratin fibres comprising a direct dye bearing a disulphide/thiol function, a sparingly or non-ethoxylated fatty alcohol, a cationic surfactant, an alkaline agent and a reducing agent L'OREAL (FR) 2016-05-24 US disclosed
US-9265705-B2 Composition for dyeing keratin fibres comprising a direct dye bearing a disulphide/thiol function, a nonionic surfactant, an amphoteric surfactant, an ethoxylated fatty alcohol, an alkaline agent and a reducing agent L'OREAL (FR) 2016-02-23 US disclosed
US-20140137342-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULPHIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ETHOXYLATED FATTY ALCOHOL, AN ALKALINE AGENT AND A REDUCING AGENT L'OREAL (FR) 2014-05-22 US disclosed
US-20130074276-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'OREAL S.A. (FR) 2013-03-28 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 (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-20140137342-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULPHIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ETHOXYLATED FATTY ALCOHOL, AN ALKALINE AGENT AND A REDUCING AGENT KRT18, ANXA4, S100A4 KMT2A 1743/4885MEN1 4449/4885MAPT 2113/4885
US-20130074276-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE KRT18, DSG1, KRTCAP2 KMT2A 1186/4885MEN1 3694/4885MAPT 655/4885

“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.