SCHEMBL12296947

SCHEMBL12296947

COC(=O)/C(=N\N(C)c1ccc(N2CCCC2)cc1)c1cccc[n+]1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.36
▸ RAB9A P51151 9/20 0.36
▸ NPC1 O15118 8/20 0.36
▸ SMN1; SMN2 Q16637 7/20 0.36
▸ GFER P55789 3/20 0.36
▸ AHR P35869 1/20 0.36
▸ GAA P10253 4/20 0.35
▸ ALDH1A1 P00352 9/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ TP53 P04637 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPK1 P28482 3/20 0.34

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
SCHEMBL12296946 0.84 LMNA (0.33) MAPTRAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL12297007 0.83 MAPT (0.35) MAPTRAB9ANPC1SMN1; SMN2GFER
SCHEMBL12297072 0.83 MAPT (0.37) MAPTRAB9ANPC1SMN1; SMN2GFER
SCHEMBL12296903 0.82 MAPT (0.38) MAPTRAB9ANPC1SMN1; SMN2GFER
SCHEMBL12296954 0.82 KMT2A (0.33) MAPTRAB9ANPC1SMN1; SMN2GFER
SCHEMBL12296938 0.81 MAPT (0.35) MAPTGFERGAAALDH1A1L3MBTL1
SCHEMBL12296931 0.81 MAPT (0.39) MAPTRAB9ANPC1SMN1; SMN2GFER
SCHEMBL12297147 0.81 MAPT (0.36) MAPTRAB9ANPC1SMN1; SMN2GFER
SCHEMBL12296933 0.81 ALDH1A1 (0.33) MAPTALDH1A1HPGDKDM4E
SCHEMBL12296949 0.79 ALDH1A1 (0.33) MAPTALDH1A1L3MBTL1MAPK1CYP1A2

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 MAPT 2118/4885RAB9A 3671/4885NPC1 4330/4885

“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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