SCHEMBL3871882

SCHEMBL3871882

CN(CCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

nearest known ligand 0.51

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.51
▸ KMT2A Q03164 7/20 0.51
▸ MAPT P10636 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ GFER P55789 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ALPG P10696 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ GAA P10253 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ BRCA1 P38398 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HBB P68871 1/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL8991523 0.87 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL9140957 0.87 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13645967 0.85 MEN1 (0.68) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL10341056 0.80 CHRM2 (0.46) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL10340918 0.80 CHRM2 (0.46) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL10340997 0.80 CHRM2 (0.46) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL10340852 0.80 CHRM2 (0.46) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL10340824 0.80 CHRM2 (0.46) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL10341018 0.80 CHRM2 (0.46) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL10340818 0.80 CHRM2 (0.46) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601180-B2 Use for the dyeing with lightening effect of keratin substances of a composition comprising a fluorescent cyanine dye L'OREAL S.A. (FR) 2009-10-13 — — US claimed
US-20090049621-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'OREAL S.A. (FR) 2009-02-26 — — US claimed
US-7601180-B2 Use for the dyeing with lightening effect of keratin substances of a composition comprising a fluorescent cyanine dye L'OREAL S.A. (FR) 2009-10-13 — — US disclosed
US-20090049621-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'OREAL S.A. (FR) 2009-02-26 — — US 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-20090049621-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE KRT18, S100A4, S100P MEN1 2692/4885KMT2A 1544/4885MAPT 220/4885

“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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