SCHEMBL12296901

SCHEMBL12296901

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HTR2C P28335 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL12296899 0.84 MEN1 (0.38) KMT2ALMNAMAPK1
SCHEMBL12296946 0.83 LMNA (0.33) KMT2ALMNAMAPK1
SCHEMBL12296970 0.83 ACHE (0.32) —
SCHEMBL12297040 0.82 RAD52 (0.33) RAD52KMT2ARXFP1
SCHEMBL12296913 0.82 ALDH1A1 (0.38) KMT2ALMNAMAPK1
SCHEMBL12296909 0.82 MEN1 (0.42) KMT2ALMNAMAPK1
SCHEMBL12297101 0.81 RAD52 (0.31) RAD52
SCHEMBL12296903 0.81 MAPT (0.38) KMT2ALMNAMAPK1
SCHEMBL14385860 0.78 RAD52 (0.32) RAD52KMT2ARXFP1
SCHEMBL14386371 0.78 KDM4E (0.34) LMNA

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 RAD52 112/4885KMT2A 732/4885RXFP1 2366/4885

“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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