SCHEMBL12533262

SCHEMBL12533262

CCN(CC)c1ccc(/C=C/c2cc[n+](CCCC[n+]3ccc(/C=C/c4ccc(N(CC)CC)cc4)cc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.74
CHRM4 P08173 2/20 0.74
CHRM5 P08912 2/20 0.74
CHRM1 P11229 2/20 0.74
CHRM3 P20309 2/20 0.74
KDM4A O75164 5/20 0.65
KDM2A Q9Y2K7 5/20 0.65
ALDH1A1 P00352 5/20 0.52
ALDH3A1 P30838 1/20 0.52
ALDH1A3 P47895 1/20 0.52
INSR P06213 1/20 0.51
MAPT P10636 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 2/20 0.49
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
APP P05067 1/20 0.45

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
SCHEMBL14984278 0.98 CHRM2 (0.72) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26091666 0.98 CHRM2 (0.72) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14984140 0.97 CHRM2 (0.74) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10845330 0.94 KDM4A (0.76) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10845327 0.94 KDM4A (0.76) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18102245 0.93 CHRM2 (0.70) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL9268297 0.92 KDM4A (0.76) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL9268306 0.92 KDM4A (0.76) CHRM2CHRM4CHRM5CHRM1CHRM3
Water SCHEMBL10851038 0.91 KDM4A (0.72) CHRM2CHRM4CHRM5CHRM1CHRM3
Water SCHEMBL10851042 0.91 KDM4A (0.72) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507319-B1 DYES FOR ANALYSIS OF PROTEIN AGGREGATION ENZO LIFE SCIENCES INC (US) 2019-08-28 EP disclosed
US-9932479-B2 Dyes and compositions, and processes for using same in analysis of protein aggregation and other applications ENZO BIOCHEM, INC. (US) 2018-04-03 US disclosed
US-20160280921-A1 DYES FOR ANALYSIS OF PROTEIN AGGREGATION ENZO LIFE SCIENCES, INC. (US) 2016-09-29 US disclosed
US-20160280921-A1 DYES FOR ANALYSIS OF PROTEIN AGGREGATION ENZO LIFE SCIENCES, INC. (US) 2016-09-29 US disclosed
US-20150376411-A1 NOVEL DYES AND COMPOSITIONS, AND PROCESSES FOR USING SAME IN ANALYSIS OF PROTEIN AGGREGATION AND OTHER APPLICATIONS ENZO BIOCHEM, INC. (US) 2015-12-31 US disclosed
US-9133343-B2 Dyes and compositions, and processes for using same in analysis of protein aggregation and other applications ENZO BIOCHEM, INC. (US) 2015-09-15 US disclosed
US-20130137112-A1 DYES FOR ANALYSIS OF PROTEIN AGGREGATION ENZO LIFE SCIENCES, INC. 2013-05-30 US disclosed
US-20110130305-A1 Novel dyes and compositions, and processes for using same in analysis of protein aggregation and other applications ENZO LIFE SCIENCES, INC. 2011-06-02 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 (2 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-20130137112-A1 DYES FOR ANALYSIS OF PROTEIN AGGREGATION CRYAA, CRYAB, HSPH1 CHRM2 4285/4885CHRM4 4331/4885CHRM5 3652/4885
US-20110130305-A1 Novel dyes and compositions, and processes for using same in analysis of protein aggregation and other applications APP, CRYAA, CRYAB CHRM2 4349/4885CHRM4 4499/4885CHRM5 4188/4885

“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.