Sugi Predict

Sugi Predict / Compounds / SCHEMBL12297006

SCHEMBL12297006

SCHEMBL12297006

COC(=O)/C(=N\N(C)c1cc2c3c(c1O)CCCN3CCC2)c1ccc2ccccc2[n+]1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ PTBP1 P26599 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ USP2 O75604 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ BRCA1 P38398 1/20 0.32

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
SCHEMBL12297018 0.91 MEN1 (0.38) MEN1KMT2ALMNAGAAHTT
SCHEMBL12297005 0.87 LMNA (0.31) LMNAGAAHTT
SCHEMBL12296969 0.86 MEN1 (0.35) MEN1KMT2ALMNAGAAHTT
SCHEMBL12296945 0.85 MEN1 (0.39) MEN1KMT2ALMNAGAAHTT
SCHEMBL12297148 0.82 MEN1 (0.38) MEN1KMT2ALMNAGAAHTT
SCHEMBL12297003 0.81 PDK1 (0.31) LMNAGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL12297085 0.81 MEN1 (0.37) MEN1KMT2ALMNAGAAHTT
SCHEMBL12296967 0.78 MEN1 (0.39) MEN1KMT2ALMNAGAAKDM4E
SCHEMBL12297017 0.77 ACHE (0.32) MEN1KMT2ALMNAGAAHTT
SCHEMBL12296980 0.77 KMT2A (0.39) MEN1KMT2ALMNAGAAHTT

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 MEN1 2261/4885KMT2A 732/4885LMNA 363/4885

“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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