SCHEMBL12296924

SCHEMBL12296924

CN(/N=C/c1cccc[n+]1C)c1cc2c3c(c1)CCCN3CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HDAC8 Q9BY41 1/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MEN1 O00255 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PTBP1 P26599 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL12296925 0.83 MEN1 (0.41) ACHETSHRHRH1PDE4DSMN1; SMN2
SCHEMBL12296921 0.82 ALDH1A1 (0.40) ACHETSHRHRH1PDE4DSMN1; SMN2
SCHEMBL12296934 0.82 MEN1 (0.47) ACHETSHRHRH1PDE4DSMN1; SMN2
SCHEMBL12296983 0.81 ACHE (0.41) ACHEHRH1PDE4DSMN1; SMN2KDM4E
SCHEMBL12297060 0.81 MAPT (0.36) ACHESMN1; SMN2KDM4EKMT2ARAD52
SCHEMBL12296927 0.81 ACHE (0.43) ACHETSHRHRH1PDE4DSMN1; SMN2
SCHEMBL12297128 0.79 RAD52 (0.40) SMN1; SMN2KDM4EKMT2ARAD52MEN1
SCHEMBL12296901 0.77 RAD52 (0.33) KMT2ARAD52RXFP1LMNAMAPK1
SCHEMBL14001802 0.77 MAPT (0.46) SMN1; SMN2KDM4EKMT2ARAD52RXFP1
SCHEMBL14386568 0.76 KDM4E (0.34) KDM4EKMT2ARAD52MAPTRAB9A

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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