SCHEMBL4404162

SCHEMBL4404162

Cc1ccc[n+](CCc2ccc(CC[n+]3cccc(C)c3)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46
APAF1 O14727 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RAD52 P43351 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GGPS1 O95749 1/20 0.44
CYP2D6 P10635 1/20 0.44
PABPC1 P11940 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
CHRNA7 P36544 2/20 0.43
CHRNA10 Q9GZZ6 2/20 0.43
CHRNA9 Q9UGM1 2/20 0.43
CHKA P35790 1/20 0.41

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 SCHEMBL11580547 0.91 PABPC1 (0.51) LMNAL3MBTL1KDM4EALDH1A1GGPS1
SCHEMBL13361694 0.90 LMNA (0.55) LMNAKDM4EAPAF1ALDH1A1POLB
SCHEMBL4400586 0.87 KDM4E (0.59) LMNAKDM4EAPAF1ALDH1A1POLB
SCHEMBL4401584 0.85 CHRNA7 (0.63) LMNAL3MBTL1KDM4EAPAF1ALDH1A1
SCHEMBL6114658 0.85 PABPC1 (0.50) LMNAL3MBTL1KDM4EAPAF1ALDH1A1
SCHEMBL5295991 0.82 CHRNA7 (0.50) LMNAKDM4EAPAF1ALDH1A1POLB
SCHEMBL13334363 0.81 LMNA (0.64) LMNAKDM4EAPAF1ALDH1A1POLB
SCHEMBL8739576 0.81 KDM4E (0.53) LMNAKDM4EAPAF1ALDH1A1POLB
SCHEMBL16673982 0.81 KDM4E (0.48) LMNAL3MBTL1KDM4EAPAF1ALDH1A1
Bromide SCHEMBL3312746 0.80 LMNA (0.62) LMNAKDM4EAPAF1ALDH1A1POLB

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-8178678-B2 Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-05-15 US disclosed
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-03-18 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-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA5, CHRNA4 LMNA 3886/4885L3MBTL1 3428/4885KDM4E 1712/4885

“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.