SCHEMBL3934283

SCHEMBL3934283

C[n+]1c(C=CC=CC=C2C=CN(CCC[N+](C)(C)C)c3ccccc32)oc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
THRB P10828 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
MCL1 Q07820 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
SCHEMBL3934279 1.00 MEN1 (0.37) MEN1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL3931417 0.88 MEN1 (0.39) MEN1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL3931412 0.88 MEN1 (0.39) MEN1MAPTHTTKMT2ASMN1; SMN2
Iodide SCHEMBL5918845 0.87 MEN1 (0.40) MEN1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL13098676 0.83 MEN1 (0.38) MEN1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL3934123 0.81 RAB9A (0.38) MEN1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL26392086 0.81 RAB9A (0.38) MEN1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL3934125 0.81 RAB9A (0.38) MEN1MAPTHTTKMT2ASMN1; SMN2
Iodide SCHEMBL5918651 0.80 MEN1 (0.38) MEN1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL3933698 0.79

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
EP-1609459-B1 Use of polycationic compounds for dyeing keratinous fibers OREAL (FR) 2009-04-08 EP disclosed
US-20060162098-A1 Use of polycationic compounds for dyeing keratin fibres L'OREAL S.A. (FR) 2006-07-27 US disclosed
EP-1609459-A1 Use of polycationic compounds for dyeing keratinous fibers L'OREAL (FR) 2005-12-28 EP 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-20060162098-A1 Use of polycationic compounds for dyeing keratin fibres KRT18, DSG1, DSP MEN1 2885/4885MAPT 250/4885HTT 1629/4885

“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.