SCHEMBL6337030

SCHEMBL6337030

O=[N+]([O-])c1ccc2c(c1)C=CCCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.57
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
MAPT P10636 9/20 0.43
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 4/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
HPGD P15428 1/20 0.40
BAZ1A Q9NRL2 1/20 0.39
GAA P10253 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL6950684 0.84 CA9 (0.60) CA9CA12CA1MAPTMEN1
SCHEMBL7289948 0.84 CA9 (0.49) CA9CA12CA1MAPTMEN1
SCHEMBL4233516 0.76 CA9 (0.62) CA9CA12CA1MAPTMEN1
SCHEMBL30665998 0.74 MAPT (0.60) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL1169369 0.74 MAPT (0.60) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL7290860 0.74 CA9 (0.42) CA9CA12CA1MAPTMEN1
SCHEMBL11864307 0.73 CA9 (0.48) CA9CA12CA1MAPTMEN1
SCHEMBL3442079 0.72 CA9 (0.47) CA9CA12CA1MAPTMEN1
SCHEMBL2113039 0.71 LMNA (0.47) CA9CA12CA1MAPTMEN1
SCHEMBL10845095 0.71 MEN1 (0.54) MAPTMEN1KMT2AHTTRAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908947-B2 Sulfonamide-substituted fused 7-membered ring compounds, their use as a medicament, and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-21 US disclosed
EP-0861836-B1 Sulfonamido substituted condensed, seven-membered ring compounds with potassium channel blocking activity AVENTIS PHARMA GMBH (DE) 2004-12-29 EP disclosed
CN-1110490-C Sulfamide-substituted condensed seven-membered ring chemical compound, use as medicine and medicinal preparation containing same HOECHST AG (DE) 2003-06-04 CN disclosed
US-20020072514-A1 Sulfonamide-substituted fused 7-membered ring compounds, their use as a medicament, and pharmaceutical preparations comprising them HOECHST AKTIENGESELLSCHAFT 2002-06-13 US disclosed
US-6333349-B1 POTASSIUM CHANNEL OR THE I.SUB.KS CHANNEL OPENED BY CYCLIC ADENOSINE MONOPHOSPHATE AS POTASSIUM CHANNEL ACTIVATORS AND CARDIOVASCULAR DISORDERS, ANTIARRHYTHMIAS, FOR THE TREATMENT OF ULCERS OF THE GASTROINTESTINAL REGION OR FOR THE TREATMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-25 US disclosed
CN-1193017-A Sulfamide-substituted condensed seven-membered ring chemical compound, use as medicine and medicinal preparation containing same HOECHST AG (DE) 1998-09-16 CN disclosed
EP-0861836-A1 Sulfonamido substituted condensed, seven-membered ring compounds with potassium channel blocking activity HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-02 EP disclosed
US-5194442-A 2,3,4,5-tetrahydro-1-benzoxepins, the use thereof and pharmaceutical products based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
EP-0360131-A1 2,3,4,5-Tetrahydro-1-benzoxepines, method for their preparation, their use and pharmaceutical compositions based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-28 EP disclosed
WO-1989011477-A1 BENZOXEPINE AND RELATED COMPOUNDS BEECHAM GROUP PLC (GB) 1989-11-30 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 (1 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-20020072514-A1 Sulfonamide-substituted fused 7-membered ring compounds, their use as a medicament, and pharmaceutical preparations comprising them KCNN3, KCNJ1, KCNJ11 CA9 2382/4885CA12 3663/4885CA1 1921/4885

“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.