SCHEMBL2222786

SCHEMBL2222786

CCN(Cc1cccc(CN2CCN(c3ncccc3C(=O)OC(C)C)CC2)c1)Cc1c(F)cccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 1/20 0.48
GPR6 P46095 4/20 0.40
TDP1 Q9NUW8 4/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
AOC3 Q16853 1/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2222133 0.95 MAPT (0.51) KDM4EMAPTL3MBTL1POLBNPSR1
Hydrochloric Acid SCHEMBL2222658 0.94 MAPT (0.50) KDM4EMAPTL3MBTL1POLBNPSR1
Hydrochloric Acid SCHEMBL14485808 0.94 MAPT (0.50) KDM4EMAPTL3MBTL1POLBNPSR1
Maleic Acid SCHEMBL2225130 0.91 L3MBTL1 (0.47) KDM4EMAPTL3MBTL1POLBNPSR1
SCHEMBL14485224 0.91 KDM4E (0.47) KDM4EMAPTL3MBTL1POLBNPSR1
Fumaric Acid SCHEMBL2225137 0.91 L3MBTL1 (0.47) KDM4EMAPTL3MBTL1POLBNPSR1
SCHEMBL2224164 0.90 MAPT (0.53) KDM4EMAPTL3MBTL1POLBNPSR1
Gsk-2339345 SCHEMBL2223097 0.89 MAPT (0.54) KDM4EMAPTL3MBTL1POLBNPSR1
SCHEMBL2227393 0.89 L3MBTL1 (0.47) KDM4EMAPTL3MBTL1POLBNPSR1
SCHEMBL2223130 0.89 L3MBTL1 (0.47) KDM4EMAPTL3MBTL1POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US claimed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US claimed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO claimed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO 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-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B KDM4E 3172/4885MAPT 1880/4885L3MBTL1 3824/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 KDM4E 3267/4885MAPT 2771/4885L3MBTL1 4180/4885

“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.