SCHEMBL12296980

SCHEMBL12296980

CN(/N=C/c1ccc2ccccc2[n+]1C)c1cc2c3c(c1O)CCCN3CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ GAA P10253 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PTBP1 P26599 1/20 0.39
▸ ACHE P22303 11/20 0.36
▸ POLB P06746 3/20 0.36
▸ BCHE P06276 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ RECQL P46063 2/20 0.32
▸ NPC1 O15118 2/20 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
SCHEMBL12296992 0.88 KMT2A (0.44) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL12296983 0.84 ACHE (0.41) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL12296925 0.83 MEN1 (0.41) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL12296969 0.82 MEN1 (0.35) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL14386569 0.81 MEN1 (0.38) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL12297138 0.81 HTT (0.40) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL12296994 0.79 ACHE (0.36) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL12297058 0.78 MEN1 (0.39) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL12297006 0.77 MEN1 (0.37) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL12297118 0.72 KDM4E (0.36) KMT2AMEN1LMNAMAPTSMN1; 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 KMT2A 732/4885MEN1 2261/4885LMNA 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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