SCHEMBL1463345

SCHEMBL1463345

O=C(O)CNC(=O)c1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2nnn[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
KCNMA1 Q12791 1/20 0.38
P2RX1 P51575 3/20 0.38
RHOC P08134 1/20 0.37
RHOA P61586 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
KDR P35968 2/20 0.35
BRAF P15056 1/20 0.35
LMNA P02545 1/20 0.35
PTPRC P08575 2/20 0.35
CTSL P07711 1/20 0.35
PTPN13 Q12923 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 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
Emidurdar SCHEMBL30845296 0.81 KCNMA1 (0.54) KCNMA1TRPV1KDRLMNAMAPT
SCHEMBL1463472 0.81 GRIK1 (0.47) KCNMA1P2RX1TRPV1KDRMAPT
Emidurdar SCHEMBL1463101 0.81 KCNMA1 (0.54) KCNMA1TRPV1KDRLMNAMAPT
SCHEMBL5476434 0.80 P2RX1 (0.48) EPHX2P2RX1HTTTRPV1KDR
SCHEMBL3579491 0.80 PSEN1 (0.47) EPHX2KCNMA1TRPV1KDRMAPT
SCHEMBL1463031 0.80 HTR2A (0.37) KCNMA1TRPV1KDRBRAFMAPT
SCHEMBL5950007 0.79 HPGD (0.42) EPHX2RHOCRHOALMNAMAPT
SCHEMBL3580763 0.78 PSEN1 (0.45) KCNMA1P2RX1TRPV1KDRMAPT
SCHEMBL3574142 0.77 PSEN1 (0.44) KCNMA1P2RX1RHOCRHOATRPV1
SCHEMBL3570022 0.77 KDR (0.45) HTTTRPV1KDRBRAFMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663192-B1 hERG1 CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NEUROSEARCH AS (DK) 2008-12-03 EP claimed
US-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias NEUROSEARCH A/S (DK) 2006-12-14 US claimed
US-20110071164-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS OLESEN SOEREN PETER 2011-03-24 US disclosed
US-7851492-B2 ERG channel openers for the treatment of cardiac arrhythmias NEUROSEARCH A/S (DK) 2010-12-14 US disclosed
EP-1663192-B1 hERG1 CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NEUROSEARCH AS (DK) 2008-12-03 EP disclosed
US-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias NEUROSEARCH A/S (DK) 2006-12-14 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 (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-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias KCNJ2, KCNN3, KCNE1 EPHX2 2367/4885KCNMA1 76/4885P2RX1 572/4885
US-20110071164-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS KCNJ2, KCNN3, KCNE1 EPHX2 2367/4885KCNMA1 76/4885P2RX1 572/4885

“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.