SCHEMBL1463487

SCHEMBL1463487

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1-c1nnn[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.48
KMT2A Q03164 12/20 0.48
MAPT P10636 9/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CXCR1 P25024 2/20 0.43
CXCR2 P25025 2/20 0.43
MAPK1 P28482 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MYOC Q99972 2/20 0.43
NPC1 O15118 2/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1463507 0.89 KMT2A (0.45) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL1463246 0.89 KMT2A (0.53) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL1463305 0.85 MAPT (0.50) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL1463473 0.85 KMT2A (0.46) MEN1KMT2AMAPTSMN1; SMN2CXCR2
SCHEMBL1464219 0.83 NPC1 (0.46) MEN1KMT2AMAPTSMN1; SMN2CXCR1
SCHEMBL1463340 0.82 GPR35 (0.51) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL4718263 0.82 GPR35 (0.47) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL1463266 0.82 POLB (0.45) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL1463540 0.81 GRIK1 (0.50) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL1463373 0.81 KMT2A (0.58) MEN1KMT2AMAPTHTTSMN1; SMN2

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 15 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-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-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-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 US disclosed
US-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias NEUROSEARCH A/S (DK) 2006-12-14 US disclosed
CN-1845726-A Erg channel openers for the treatment of cardiac arrhythmias POSEIDON PHARMACEUTICALS AS (DK) 2006-10-11 CN 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

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 MEN1 2084/4885KMT2A 2189/4885MAPT 4034/4885
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators KCNJ2, KCNH2, KCNH3 MEN1 3855/4885KMT2A 603/4885MAPT 109/4885
US-20110071164-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS KCNJ2, KCNN3, KCNE1 MEN1 2084/4885KMT2A 2189/4885MAPT 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.