SCHEMBL12296922

SCHEMBL12296922

CN1CCCc2cc(N(C)/N=C/c3cccc[n+]3C)c(O)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ GFER P55789 1/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ APOBEC3A P31941 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
SCHEMBL12296994 0.83 ACHE (0.36) ACHEKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL12296921 0.82 ALDH1A1 (0.40) ACHETSHRHRH1PDE4DKDM4E
SCHEMBL12297057 0.82 MEN1 (0.38) ACHEMEN1KMT2AGAAALDH1A1
SCHEMBL12297135 0.82 HTT (0.38) KDM4ESMN1; SMN2MEN1KMT2AGAA
SCHEMBL12296912 0.81 MEN1 (0.32) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL14386571 0.79 MEN1 (0.31) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL12296925 0.77 MEN1 (0.41) ACHETSHRHRH1PDE4DKDM4E
SCHEMBL12296948 0.75 LMNA (0.32) TSHRKDM4EGAALMNAMAPK1
SCHEMBL12297120 0.74 PDK1 (0.31) —
SCHEMBL12296924 0.73 ACHE (0.40) ACHETSHRHRH1PDE4DKDM4E

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 ACHE 1410/4885TSHR 3409/4885HRH1 126/4885

“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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