SCHEMBL4446747

SCHEMBL4446747

O=C(O)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 16/20 0.73
ACHE P22303 5/20 0.69
NOX1 Q9Y5S8 1/20 0.68
HTR1A P08908 1/20 0.59
ADRB3 P13945 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
DRD3 P35462 1/20 0.59
HTR2B P41595 1/20 0.59
HTR6 P50406 1/20 0.59

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
SCHEMBL30300504 1.00 BCHE (0.73) BCHEACHENOX1HTR1AADRB3
Pyrrole SCHEMBL8426380 0.89 BCHE (0.59) BCHEACHENOX1
Diethanolamine SCHEMBL9727343 0.85 BCHE (0.54) BCHEACHENOX1
SCHEMBL8739172 0.84 BCHE (0.76) BCHEACHENOX1
SCHEMBL27597035 0.82 BCHE (0.51) BCHEACHENOX1HTR1AADRB3
SCHEMBL343497 0.82 BCHE (1.00) BCHEACHENOX1
SCHEMBL7249195 0.81 ALDH1A1 (0.48) BCHEACHENOX1
SCHEMBL522271 0.81 BCHE (0.70) BCHEACHENOX1
SCHEMBL341905 0.81 NOX1 (1.00) BCHEACHENOX1
SCHEMBL4778133 0.81 BCHE (0.70) BCHEACHENOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5861394-A COMPOUNDS AS ANTIISCHEMIC AGENTS, TREATMENT OF STROKES, ANTIHEMORRHEGENIC AGENTS, ANTIDEPRESSANTS OR TREATMENT OF SICKKLE CELL ANEMIA BAYER AKTIENGESELLSCHAFT (DE) 1999-01-19 US claimed
CN-1867566-B Aminopyranones and their use as ATM inhibitors KUDOS PHARM LTD 2010-06-16 CN disclosed
EP-1535890-B1 METHOD FOR PRODUCING P-DICHLOROBENZENE KUREHA CORP (JP) 2009-05-27 EP disclosed
CN-100358891-C Pyranones useful as ATM inhibitors KUDOS PHARM LTD (GB) 2008-01-02 CN disclosed
CN-1301945-C Method for producing p-dichlorobenzene KUREHA CHEMICAL IND CO LTD (JP) 2007-02-28 CN disclosed
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed
CN-1867566-A Aminopyranones and their use as ATM inhibitors KUDOS PHARM LTD (GB) 2006-11-22 CN disclosed
EP-1535890-A4 METHOD FOR PRODUCING P-DICHLOROBENZENE KUREHA CORP (JP) 2006-08-09 EP disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
CN-1678550-A Method for producing p-dichlorobenzene KUREHA CHEMICAL IND CO LTD (JP) 2005-10-05 CN disclosed
CN-1639154-A Pyranones useful as ATM inhibitors KUDOS PHARM LTD (GB) 2005-07-13 CN disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 WO disclosed
US-6825383-B1 HALOGENATION USING METAL CHLORIDE IN PRESENCE OF HYPERVALENT IODINE CATALYST; QUALITY INSECTICIDES, FUNGICIDES, HERBICIDES, DYES, AND PHARMACEUTICALS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-11-30 US disclosed
WO-2004022512-A1 METHOD FOR PRODUCING p-DICHLOROBENZENE KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED (JP) 2004-03-18 WO disclosed
US-5142045-A Xanthene, acridine, and thioxanthene moieties pendant from polymer background AISIN SEIKI KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
US-4192883-A ANTITUSSIVES PIERRE FABRE, S.A. (FR) 1980-03-11 US disclosed
US-4192883-A ANTITUSSIVES PIERRE FABRE, S.A. (FR) 1980-03-11 US 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-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A BCHE 1165/4885ACHE 186/4885NOX1 1703/4885

“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.