SCHEMBL1463434

SCHEMBL1463434

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1c(Cl)cc(Cl)cc1-c1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MAPT P10636 1/20 0.40
JUN P05412 4/20 0.40
NFKB1 P19838 4/20 0.40
NFKB2 Q00653 4/20 0.40
RELA Q04206 4/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KDR P35968 4/20 0.39
FLT3 P36888 2/20 0.39
MEN1 O00255 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
P2RX1 P51575 1/20 0.39
KMT2A Q03164 1/20 0.39
MYLK Q15746 1/20 0.39
P2RX4 Q99571 1/20 0.39

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
SCHEMBL5950229 0.88 P2RY1 (0.46) MAPTCA12CA1CA2CA9
SCHEMBL5950634 0.86 CA1 (0.37) MAPTCA12CA1CA2CA9
SCHEMBL5950271 0.85 KDR (0.57) CA1CA2CA9KDR
SCHEMBL5950708 0.85 CA1 (0.40) MAPTCA12CA1CA2CA9
SCHEMBL5950090 0.85 P2RX1 (0.53) JUNNFKB1NFKB2RELAKDR
SCHEMBL1463472 0.83 GRIK1 (0.47) HTR2AHTR2CMAPTJUNNFKB1
SCHEMBL5950272 0.81 GRIK1 (0.49) MAPTJUNNFKB1NFKB2RELA
SCHEMBL11001119 0.80 MAPT (0.57) MAPTJUNNFKB1NFKB2RELA
SCHEMBL5950365 0.80 NPSR1 (0.41) CA12CA1CA2CA9MEN1
SCHEMBL5950308 0.78 CA12 (0.41) HTR2AHTR2CMAPTJUNNFKB1

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-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
EP-1663192-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS Poseidon Pharmaceuticals A/S (DK) 2006-06-07 EP claimed
WO-2005023237-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS POSEIDON PHARMACEUTICALS A/S (DK) 2005-03-17 WO claimed
WO-2005023238-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF HYPEREXCITABILITY-RELATED NEURONAL DISEASES POSEIDON PHARMACEUTICALS A/S (DK) 2005-03-17 WO 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
EP-1663192-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS Poseidon Pharmaceuticals A/S (DK) 2006-06-07 EP disclosed
WO-2005023237-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS POSEIDON PHARMACEUTICALS A/S (DK) 2005-03-17 WO disclosed
WO-2005023238-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF HYPEREXCITABILITY-RELATED NEURONAL DISEASES POSEIDON PHARMACEUTICALS A/S (DK) 2005-03-17 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-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias KCNJ2, KCNN3, KCNE1 HTR2A 1610/4885HTR2C 2128/4885MAPT 4034/4885
US-20110071164-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS KCNJ2, KCNN3, KCNE1 HTR2A 1610/4885HTR2C 2128/4885MAPT 4034/4885

“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.