SCHEMBL2714487

SCHEMBL2714487

CCC(=O)Nc1cc(C(=O)NCc2ccc(OCC(F)F)c(Cl)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
GSK3B P49841 1/20 0.47
KDM1A O60341 1/20 0.44
HDAC1 Q13547 1/20 0.44
LMNA P02545 1/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
PTGES O14684 2/20 0.41
POLB P06746 1/20 0.41
SCN3A Q9NY46 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
WDR5 P61964 3/20 0.40
SCN9A Q15858 1/20 0.39
CYP3A4 P08684 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
ROS1 P08922 1/20 0.38
ALK Q9UM73 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
SCHEMBL2716439 0.91 CYP3A4 (0.48) MAPTGSK3BKDM1AHDAC1LMNA
SCHEMBL2716389 0.90 MAPT (0.47) MAPTGSK3BKDM1AHDAC1LMNA
SCHEMBL2715164 0.90 MAPT (0.47) MAPTGSK3BKDM1AHDAC1LMNA
SCHEMBL2714271 0.89 ROS1 (0.47) MAPTGSK3BHDAC1LMNAROS1
SCHEMBL2715701 0.89 MAPT (0.60) MAPTGSK3BKDM1AHDAC1LMNA
SCHEMBL4550424 0.88 GSK3B (0.48) MAPTGSK3BKDM1AHDAC1LMNA
SCHEMBL2713842 0.88 GSK3B (0.48) MAPTGSK3BTYK2
SCHEMBL2713412 0.86 SCN9A (0.48) MAPTGSK3BKDM1AHDAC1JAK2
SCHEMBL2716810 0.86 SCN3A (0.55) GSK3BKDM1AHDAC1LMNAJAK2
SCHEMBL2716044 0.83 MAPT (0.48) MAPTGSK3BLMNAJAK2JAK1

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
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP claimed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US claimed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US claimed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP claimed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO claimed
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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 (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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A MAPT 3185/4885GSK3B 4093/4885KDM1A 978/4885

“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.