SCHEMBL13527279

SCHEMBL13527279

CCCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCCC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
MAPT P10636 2/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
HTT P42858 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 2/20 0.61
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
CHRM2 P08172 2/20 0.54
ADRA2A P08913 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
CHRM1 P11229 2/20 0.54
ACHE P22303 2/20 0.54
SLC6A2 P23975 2/20 0.54

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
SCHEMBL5306050 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5303937 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5291708 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5290223 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5291016 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5300610 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5296726 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5288547 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5293245 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5292237 0.98 KMT2A (0.67) KMT2AMEN1MAPTTP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130143928-A1 BIS-PYRINIDIUM COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2013-06-06 US disclosed
US-20100016367-A1 BIS-PYRINIDIUM COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2010-01-21 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-20100016367-A1 BIS-PYRINIDIUM COMPOUNDS PNPO, DHFR, PLPBP KMT2A 3208/4885MEN1 959/4885MAPT 1076/4885
US-20130143928-A1 BIS-PYRINIDIUM COMPOUNDS PNPO, DHFR, PLPBP KMT2A 3208/4885MEN1 959/4885MAPT 1076/4885

“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.