SCHEMBL196321

SCHEMBL196321

[c]1ccc(-c2ccoc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
ERN1 O75460 5/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
IMPDH2 P12268 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NPBWR1 P48145 1/20 0.32
ADORA2A P29274 2/20 0.32
TOP2A P11388 1/20 0.32
TDO2 P48775 1/20 0.32
ADORA1 P30542 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL1772039 0.81 LPL (0.54) LPLLIPGERN1SLC6A4SLC6A3
SCHEMBL7191487 0.81 LPL (0.46) LPLLIPGERN1SLC6A4SLC6A3
SCHEMBL28570260 0.78 ESR1 (0.40) LPLLIPGIMPDH2CSNK2A1
SCHEMBL21295883 0.78 CSNK2A1 (0.34) LPLLIPGIMPDH2CSNK2A1
SCHEMBL571400 0.76
SCHEMBL196583 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1126802 0.74 ALDH1A1 (0.50) LPLLIPGIMPDH2ADORA2ATDO2
SCHEMBL28219578 0.74 LPL (0.44) LPLLIPGERN1SLC6A4SLC6A3
SCHEMBL2385789 0.73 ADORA2A (0.35) LPLLIPGERN1IMPDH2ADORA2A
SCHEMBL16398823 0.72

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 286 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP claimed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US claimed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US claimed
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US claimed
CN-102906093-A Novel nk-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in nk-3 receptors mediated disorders EUROSCREEN SA 2013-01-30 CN claimed
JP-2012500216-A 2012-01-05 JP claimed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 WO claimed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 WO claimed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US claimed
EP-2318006-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 EP claimed
CN-1251523-A Sulfonamide derivatives LILLY CO ELI (US) 2000-04-26 CN claimed
EP-0980864-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 2000-02-23 EP claimed
WO-2000006157-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO claimed
WO-2000006539-A1 ALKENYL SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO claimed
US-5843933-A 11β-aryl-4-estrenes, process for their production as well as their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 US claimed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 EP claimed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 WO claimed
US-5728689-A ANTIGESTAGENIC EFFECT SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-17 US claimed
EP-0674635-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-10-04 EP claimed
WO-1994014803-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-07-07 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR LPL 1896/4885LIPG 821/4885ERN1 3115/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR LPL 1896/4885LIPG 821/4885ERN1 3115/4885

“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.