SCHEMBL12296944

SCHEMBL12296944

COC(=O)/C(=N\N(C)c1ccc2c(c1)CCCN2C)c1cccc[n+]1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ LMNA P02545 5/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ TSHR P16473 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PRKAB2 O43741 1/20 0.30
▸ PRKAG1 P54619 1/20 0.30
▸ PRKAA2 P54646 1/20 0.30
▸ PRKAA1 Q13131 1/20 0.30

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
SCHEMBL12296948 0.86 LMNA (0.32) KDM4EGAALMNAHTTTSHR
SCHEMBL12296946 0.85 LMNA (0.33) KDM4EGAAMEN1KMT2AMAPT
SCHEMBL12296913 0.85 ALDH1A1 (0.38) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL12297004 0.84 KDM4E (0.35) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL12297084 0.84 KDM4E (0.39) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL12297157 0.84 KDM4E (0.34) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL12296947 0.79 MAPT (0.36) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL12296945 0.74 MEN1 (0.39) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL12296956 0.74 MEN1 (0.40) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL12296954 0.74 KMT2A (0.33) KDM4EGAAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012220-B2 Specific monocationic monochromophoric compounds of hydrazone type comprising a 2-, 4-pyridinium or 2-, 4-quinolinium unit, synthesis thereof, dye compositions containing them, and method for dyeing keratin fibres L'OREAL S.A. (FR) 2011-09-06 — — US disclosed
US-20090300856-A1 SPECIFIC MONOCATIONIC MONOCHROMOPHORIC COMPOUNDS OF HYDRAZONE TYPE COMPRISING A 2-, 4-PYRIDINIUM OR 2-, 4-QUINOLINIUM UNIT, SYNTHESIS THEREOF, DYE COMPOSITIONS CONTAINING THEM, AND METHOD FOR DYEING KERATIN FIBRES L'OREAL S.A. (FR) 2009-12-10 — — US disclosed
WO-2007125238-A1 SPECIFIC MONOCATIONIC MONOCHROMOPHORIC COMPOUNDS OF HYDRAZONE TYPE COMPRISING A 2-, 4-PYRIDINIUM OR 2-, 4-QUINOLINIUM UNIT, SYNTHESIS THEREOF, DYE COMPOSITIONS CONTAINING THEM, AND METHOD FOR DYEING KERATIN FIBRES L'ORÉAL (FR) 2007-11-08 — — 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 (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-20090300856-A1 SPECIFIC MONOCATIONIC MONOCHROMOPHORIC COMPOUNDS OF HYDRAZONE TYPE COMPRISING A 2-, 4-PYRIDINIUM OR 2-, 4-QUINOLINIUM UNIT, SYNTHESIS THEREOF, DYE COMPOSITIONS CONTAINING THEM, AND METHOD FOR DYEING KERATIN FIBRES KRT18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-5 KDM4E 155/4885GAA 4566/4885MEN1 2261/4885

“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.

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