SCHEMBL16865134

SCHEMBL16865134

Cc1cc[n+](CCC[N+](C)(C)C)c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.47
HTT P42858 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 4/20 0.41
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38
GAA P10253 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RCE1 Q9Y256 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38

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 SCHEMBL4619723 0.98 KDM4E (0.57) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL18799222 0.88 KDM4E (0.52) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL13645489 0.87 KDM4E (0.64) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL13686278 0.85 KDM4E (0.62) KDM4EPOLBRECQLBCHEACHE
SCHEMBL53770 0.85 KDM4E (0.52) KDM4EPOLBRECQLHTTSMN1; SMN2
Bromide SCHEMBL50240 0.84 KDM4E (0.55) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL12201138 0.82 KDM4E (0.59) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL6726696 0.81 KDM4E (0.57) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL12849714 0.81 KDM4E (0.57) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL19485776 0.81 KDM4E (0.61) KDM4EPOLBRECQLHTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150185182-A1 NUCLEIC ACID BINDING DYES WITH IMPROVED SAFETY BIOTIUM, INC. 2015-07-02 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 (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-20150185182-A1 NUCLEIC ACID BINDING DYES WITH IMPROVED SAFETY POLRMT, POLI, EWSR1 KDM4E 3940/4885POLB 7/4885RECQL 322/4885

“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.