SCHEMBL1462991

SCHEMBL1462991

O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.76
TRPV1 Q8NER1 1/20 0.74
CXCR1 P25024 2/20 0.70
CXCR2 P25025 2/20 0.70
NTRK1 P04629 1/20 0.67
CDK19 Q9BWU1 1/20 0.67
MPO P05164 1/20 0.60
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
MAPT P10636 5/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 2/20 0.56
RAB9A P51151 1/20 0.56
CTDSP1 Q9GZU7 2/20 0.56
MAPK1 P28482 1/20 0.56
DDX3X O00571 1/20 0.56
POLB P06746 1/20 0.56
RXFP1 Q9HBX9 2/20 0.55
KIF11 P52732 1/20 0.55
KDR P35968 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
SCHEMBL5468450 0.91 TRPV1 (0.78) GRIK1TRPV1CXCR1CXCR2NTRK1
SCHEMBL17103663 0.86 MEN1 (0.75) GRIK1TRPV1MPOMEN1KMT2A
SCHEMBL1463057 0.86 GRIK1 (1.00) GRIK1TRPV1CXCR1CXCR2MPO
SCHEMBL18013178 0.85 TRPV1 (0.73) GRIK1TRPV1MPOMEN1KMT2A
SCHEMBL29572518 0.85 TRPV1 (0.72) GRIK1TRPV1MPOMEN1KMT2A
SCHEMBL17103677 0.85 TRPV1 (0.72) GRIK1TRPV1MPOMEN1KMT2A
SCHEMBL1462981 0.85 NTRK1 (0.81) GRIK1TRPV1NTRK1CDK19MEN1
SCHEMBL6371141 0.85 TRPV1 (0.76) GRIK1TRPV1MPOMEN1KMT2A
SCHEMBL18013143 0.85 TRPV1 (1.00) GRIK1TRPV1NTRK1CDK19MPO
SCHEMBL1463066 0.84 GRIK1 (0.84) GRIK1TRPV1CXCR1CXCR2MPO

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 42 patents — showing the first 20. 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-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 US claimed
US-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias NEUROSEARCH A/S (DK) 2006-12-14 US claimed
CN-1845726-A Erg channel openers for the treatment of cardiac arrhythmias POSEIDON PHARMACEUTICALS AS (DK) 2006-10-11 CN claimed
EP-1663192-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS Poseidon Pharmaceuticals A/S (DK) 2006-06-07 EP 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-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US claimed
EP-0693053-B1 UREA AND AMIDE DERIVATIVES AND THEIR USE IN THE CONTROL OF CELL MEMBRANE POTASSIUM CHANNELS NEUROSEARCH AS (DK) 1999-01-20 EP claimed
US-5696138-A Urea derivatives and their use NEUROSEARCH A/S (DK) 1997-12-09 US claimed
EP-0693053-A1 UREA AND AMIDE DERIVATIVES AND THEIR USE IN THE CONTROL OF CELL MEMBRANE POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 1996-01-24 EP claimed
WO-1994022807-A1 UREA AND AMIDE DERIVATIVES AND THEIR USE IN THE CONTROL OF CELL MEMBRANE POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 1994-10-13 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-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 US disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 WO disclosed
EP-0693053-A1 UREA AND AMIDE DERIVATIVES AND THEIR USE IN THE CONTROL OF CELL MEMBRANE POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 1996-01-24 EP disclosed
WO-1994022807-A1 UREA AND AMIDE DERIVATIVES AND THEIR USE IN THE CONTROL OF CELL MEMBRANE POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 1994-10-13 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 GRIK1 622/4885TRPV1 88/4885CXCR1 4329/4885
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators KCNJ2, KCNH2, KCNH3 GRIK1 216/4885TRPV1 41/4885CXCR1 4667/4885
US-20110071164-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS KCNJ2, KCNN3, KCNE1 GRIK1 622/4885TRPV1 88/4885CXCR1 4329/4885

“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.