SCHEMBL12297058

SCHEMBL12297058

CN(/N=C/c1cc[n+](C)cc1)c1cc2c3c(c1O)CCCN3CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PTBP1 P26599 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ACHE P22303 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ NPC1 O15118 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
SCHEMBL12297056 0.86 MEN1 (0.49) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL12296925 0.83 MEN1 (0.41) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL12297037 0.81 MEN1 (0.35) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL12297060 0.81 MAPT (0.36) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL12297138 0.79 HTT (0.40) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL12296980 0.78 KMT2A (0.39) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL14386569 0.77 MEN1 (0.38) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL12297085 0.76 MEN1 (0.37) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL12297057 0.76 MEN1 (0.38) MEN1KMT2AMAPTGAAACHE
SCHEMBL12296899 0.73 MEN1 (0.38) MEN1KMT2AKDM4EMAPTLMNA

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 732/4885KDM4E 155/4885

“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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