SCHEMBL4400586

SCHEMBL4400586

Cc1ccc[n+](CCCCc2ccc(CCCC[n+]3cccc(C)c3)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
APAF1 O14727 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
RAD52 P43351 1/20 0.59
BLM P54132 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CHRNA7 P36544 4/20 0.51
CHRNA10 Q9GZZ6 4/20 0.51
CHRNA9 Q9UGM1 4/20 0.51
HDAC1 Q13547 2/20 0.48
HDAC4 P56524 1/20 0.47

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
SCHEMBL13334363 0.94 LMNA (0.64) KDM4EAPAF1ALDH1A1LMNAPOLB
Bromide SCHEMBL3312746 0.92 LMNA (0.62) KDM4EAPAF1ALDH1A1LMNAPOLB
SCHEMBL13334055 0.92 CHRNA7 (0.59) KDM4EAPAF1ALDH1A1LMNAPOLB
SCHEMBL4401584 0.91 CHRNA7 (0.63) KDM4EAPAF1ALDH1A1LMNAPOLB
Bromide SCHEMBL3310835 0.90 CHRNA7 (0.60) KDM4EAPAF1ALDH1A1LMNAPOLB
SCHEMBL12638090 0.90 CHRNA7 (0.65) KDM4EAPAF1ALDH1A1LMNAPOLB
SCHEMBL13334265 0.89 CHRNA7 (0.65) KDM4EAPAF1ALDH1A1LMNAPOLB
SCHEMBL8739576 0.89 KDM4E (0.53) KDM4EAPAF1ALDH1A1LMNAPOLB
Bromide SCHEMBL3314035 0.88 CHRNA7 (0.66) KDM4EAPAF1ALDH1A1LMNAPOLB
SCHEMBL5295991 0.88 CHRNA7 (0.50) KDM4EAPAF1ALDH1A1LMNAPOLB

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
US-20160340335-A9 METHOD OF TREATING NEUROPATHIC PAIN UNIVERSITY OF UTAH (US) 2016-11-24 US disclosed
US-9499518-B2 Bis-quaternary ammonium salts as pain modulating agents UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-11-22 US disclosed
US-20160279119-A9 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-09-29 US disclosed
US-20160279119-A9 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-09-29 US disclosed
US-20140011836-A1 METHOD OF TREATING NEUROPATHIC PAIN UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-01-09 US disclosed
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-20110166177-A1 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-07-07 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 (5 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-20110166177-A1 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS RELA, FHIT, OPRL1 KDM4E 1401/4885APAF1 2757/4885ALDH1A1 4153/4885
US-20160340335-A9 METHOD OF TREATING NEUROPATHIC PAIN INA, GAP43, ACHE KDM4E 2168/4885APAF1 3470/4885ALDH1A1 2788/4885
US-20160279119-A9 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS RELA, FHIT, OPRL1 KDM4E 1401/4885APAF1 2757/4885ALDH1A1 4153/4885
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA5, CHRNA4 KDM4E 1712/4885APAF1 4742/4885ALDH1A1 1802/4885
US-20140011836-A1 METHOD OF TREATING NEUROPATHIC PAIN INA, GAP43, ACHE KDM4E 2168/4885APAF1 3470/4885ALDH1A1 2788/4885

“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.