SCHEMBL1462976

SCHEMBL1462976

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.66
MEN1 O00255 9/20 0.66
KMT2A Q03164 9/20 0.66
PPIA P62937 1/20 0.64
CXCR1 P25024 2/20 0.59
CXCR2 P25025 2/20 0.59
MAPT P10636 5/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 4/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
NFKB1 P19838 1/20 0.57
GFER P55789 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
MAPK1 P28482 3/20 0.56
POLB P06746 2/20 0.56
MITF O75030 1/20 0.56

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
SCHEMBL6295849 0.92 ABCG2 (0.61) ABCG2MEN1KMT2APPIACXCR1
SCHEMBL1463232 0.85 MEN1 (0.71) ABCG2MEN1KMT2ACXCR1CXCR2
SCHEMBL14075408 0.85 MEN1 (0.72) ABCG2MEN1KMT2AMAPTLMNA
SCHEMBL11055960 0.85 MEN1 (0.85) MEN1KMT2ACXCR1CXCR2MAPT
SCHEMBL4251354 0.84 CTSV (0.71) MEN1KMT2ACXCR2MAPTSMN1; SMN2
SCHEMBL9551973 0.84 CTSV (0.71) MEN1KMT2ACXCR2MAPTSMN1; SMN2
SCHEMBL7485985 0.83 CXCR2 (0.73) MEN1KMT2ACXCR1CXCR2MAPT
SCHEMBL1462332 0.83 KDM4E (0.71) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL31580808 0.83 KDM4E (0.71) MEN1KMT2AMAPTLMNASMN1; SMN2
Diphenylurea SCHEMBL27302793 0.83 MEN1 (0.81) MEN1KMT2ACXCR1CXCR2MAPT

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 16 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
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
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-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
US-20100144872-A1 New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation BIOLIPOX AB 2010-06-10 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
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
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
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 (4 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 ABCG2 1006/4885MEN1 2084/4885KMT2A 2189/4885
US-20110071164-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS KCNJ2, KCNN3, KCNE1 ABCG2 1006/4885MEN1 2084/4885KMT2A 2189/4885
US-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity CPA3, HNMT, CMA1 ABCG2 3645/4885MEN1 903/4885KMT2A 1345/4885
US-20100144872-A1 New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R ABCG2 2077/4885MEN1 1841/4885KMT2A 4008/4885

“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.