SCHEMBL1463485

SCHEMBL1463485

COc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.70
AKR1C2 P52895 2/20 0.70
GRIK1 P39086 8/20 0.69
GSK3A P49840 1/20 0.63
GSK3B P49841 1/20 0.63
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HTT P42858 3/20 0.59
MAPT P10636 2/20 0.59
RAB9A P51151 1/20 0.59
RXFP1 Q9HBX9 2/20 0.58
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.57
IDH2 P48735 2/20 0.56
MPO P05164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL1463349 0.88 GSK3A (0.66) AKR1C3AKR1C2GRIK1GSK3AGSK3B
SCHEMBL1463509 0.87 GRIK1 (0.77) AKR1C3AKR1C2GRIK1MEN1KMT2A
SCHEMBL5468541 0.87 GRIK1 (0.81) AKR1C3AKR1C2GRIK1MEN1KMT2A
SCHEMBL6372247 0.86 GSK3A (0.66) AKR1C3AKR1C2GRIK1GSK3AGSK3B
SCHEMBL1463112 0.85 KDM4E (0.71) GRIK1GSK3AGSK3BMEN1KMT2A
SCHEMBL1464103 0.85 GRIK1 (0.82) AKR1C3AKR1C2GRIK1MEN1KMT2A
SCHEMBL1462402 0.84 NTRK1 (0.69) AKR1C3AKR1C2GRIK1GSK3AGSK3B
SCHEMBL8370207 0.84 GSK3A (0.66) AKR1C3AKR1C2GSK3AGSK3BMEN1
SCHEMBL1462324 0.83 GRIK1 (0.82) AKR1C3AKR1C2GRIK1MEN1KMT2A
SCHEMBL6370472 0.83 MAPT (0.72) GSK3AGSK3BMEN1KMT2AHTT

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
US-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity POSEIDON PHARMACEUTICALS A/S (DK) 2005-04-14 US 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
WO-2005023237-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS 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
US-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity POSEIDON PHARMACEUTICALS A/S (DK) 2005-04-14 US 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 (3 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 AKR1C3 397/4885AKR1C2 364/4885GRIK1 622/4885
US-20110071164-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS KCNJ2, KCNN3, KCNE1 AKR1C3 397/4885AKR1C2 364/4885GRIK1 622/4885
US-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity CPA3, HNMT, CMA1 AKR1C3 1529/4885AKR1C2 1583/4885GRIK1 655/4885

“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.