SCHEMBL12297003

SCHEMBL12297003

COC(=O)/C(=N\N(C)c1cc2c(cc1O)N(C)CCC2)c1ccc2ccccc2[n+]1C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 0.31
▸ PDK2 Q15119 2/20 0.31
▸ PDK3 Q15120 2/20 0.31
▸ PDK4 Q16654 2/20 0.31
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL12297004 0.87 KDM4E (0.35) LMNAGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL12296966 0.85 — —
SCHEMBL12296948 0.85 LMNA (0.32) PDK1PDK2PDK3PDK4LMNA
SCHEMBL12297006 0.81 MEN1 (0.37) LMNAGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL12297158 0.81 PDK1 (0.31) PDK1PDK2PDK3PDK4LMNA
SCHEMBL12297083 0.80 PDK1 (0.34) PDK1PDK2PDK3PDK4GAA
SCHEMBL12297018 0.79 MEN1 (0.38) LMNAGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL12297005 0.79 LMNA (0.31) LMNAGAA
SCHEMBL12296994 0.77 ACHE (0.36) LMNAGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL12297017 0.76 ACHE (0.32) LMNAGAAKDM4EALDH1A1SMN1; SMN2

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 PDK1 2943/4885PDK2 2127/4885PDK3 2175/4885

“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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