SCHEMBL3943012

SCHEMBL3943012

C[N+](C)(C)CCCN1C(=CC=CC=C[c+]2sc3ccccc3n2CCC[N+](C)(C)C)Sc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.38
▸ KMT2A Q03164 7/20 0.38
▸ HTT P42858 3/20 0.38
▸ BLM P54132 3/20 0.38
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ USP2 O75604 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CTNNB1 P35222 1/20 0.37
▸ RECQL P46063 1/20 0.37

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
Bromide SCHEMBL5918837 0.99 MEN1 (0.37) MEN1KMT2AHTTBLMNPC1
Iodide SCHEMBL5918866 0.99 MEN1 (0.39) MEN1KMT2AHTTBLMNPC1
SCHEMBL3941486 0.91 MEN1 (0.39) MEN1KMT2AHTTBLMNPC1
Bromide SCHEMBL5918640 0.90 MEN1 (0.38) MEN1KMT2AHTTBLMNPC1
SCHEMBL4181694 0.89 L3MBTL1 (0.39) MEN1KMT2AHTTBLMNPC1
Bromide SCHEMBL5918652 0.88 L3MBTL1 (0.39) MEN1KMT2AHTTBLMNPC1
SCHEMBL3942802 0.88 MEN1 (0.40) MEN1KMT2AHTTBLMNPC1
SCHEMBL3931337 0.87 MEN1 (0.37) MEN1KMT2AHTTBLMNPC1
Bromide SCHEMBL5918647 0.87 MEN1 (0.39) MEN1KMT2AHTTBLMNPC1
Bromide SCHEMBL5918633 0.87 MEN1 (0.39) MEN1KMT2AHTTBLMNPC1

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 2885/4885KMT2A 902/4885HTT 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.

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