SCHEMBL2987616

SCHEMBL2987616

COC1=CC2=C(Sc3cc(OC)ccc3N2)C(Br)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 3/20 0.50
▸ MAPT P10636 6/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ NOX1 Q9Y5S8 3/20 0.48
▸ GAA P10253 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.35
▸ PDE3B Q13370 2/20 0.33
▸ PDE3A Q14432 2/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CA2 P00918 2/20 0.33

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
SCHEMBL9813210 0.88 MAPT (0.41) SNCAMAPTKMT2AMEN1NOX1
SCHEMBL9813116 0.87 NOX1 (0.41) SNCAMAPTKMT2AMEN1NOX1
SCHEMBL10569969 0.86 SNCA (0.50) SNCAMAPTKMT2AMEN1NOX1
SCHEMBL10575740 0.83 MEN1 (0.45) SNCAMAPTKMT2AMEN1NOX1
SCHEMBL10592334 0.80 SNCA (0.41) SNCAMAPTKMT2AMEN1NOX1
SCHEMBL10590992 0.77 MAPT (0.44) SNCAMAPTKMT2AMEN1NOX1
SCHEMBL9813228 0.73 SNCA (0.52) SNCAMAPTKMT2AMEN1NOX1
SCHEMBL10592294 0.73 MAPT (0.51) SNCAMAPTKMT2AMEN1NOX1
SCHEMBL10590546 0.71 SNCA (0.50) SNCAMAPTKMT2AMEN1NOX1
SCHEMBL10590538 0.70 MEN1 (0.40) SNCAMAPTKMT2AMEN1NOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4859667-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1989-08-22 — — US claimed
EP-0247723-A2 Compositions and methods for treating allergic conjuctivitis MERCK FROSST CANADA INC. (CA) 1987-12-02 — — EP claimed
EP-0155623-A2 Use of lipoxygenase inhibitors for the preparations of cytoprotective pharmaceutical compostions and process for the preparation of a cytoprotective pharmaceutical composition MERCK & CO. INC. (US) 1985-09-25 — — EP claimed
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 — — US disclosed
WO-2014176460-A1 METHODS OF TREATING BEHAVIORIAL AND/OR MENTAL DISORDERS CHAU DAVID T (US) 2014-10-30 — — WO disclosed
US-8486922-B2 Composition CHEN CHIEN-HUNG (TW) 2013-07-16 — — US disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 — — US disclosed
US-7790723-B2 Thiazole derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2010-09-07 — — US disclosed
EP-1343769-B1 BENZOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2010-08-04 — — EP disclosed
EP-1511737-B1 ARYLOXIMES MERCK PATENT GMBH (DE) 2010-02-17 — — EP disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 — — US disclosed
WO-2002051814-A1 BENZOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2002-07-04 — — WO disclosed
WO-2001057036-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 — — WO disclosed
EP-0138481-B1 LEUKOTRIENE BIOSYNTHESIS INHIBITORS MERCK FROSST CANADA INC. (CA) 1991-06-26 — — EP disclosed
US-4845083-A PHENOTHIAZINE DERIVATIVES AND ANALOGS MERCK FROSST CANADA, INC. (CA) 1989-07-04 — — US disclosed
EP-0115394-B1 PHENOTHIAZONE DERIVATIVES AND ANALOGS MERCK FROSST CANADA INC. (CA) 1989-06-28 — — EP disclosed
EP-0247723-A2 Compositions and methods for treating allergic conjuctivitis MERCK FROSST CANADA INC. (CA) 1987-12-02 — — EP disclosed
EP-0155623-A2 Use of lipoxygenase inhibitors for the preparations of cytoprotective pharmaceutical compostions and process for the preparation of a cytoprotective pharmaceutical composition MERCK & CO. INC. (US) 1985-09-25 — — EP disclosed
EP-0138481-A2 Leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1985-04-24 — — EP disclosed
EP-0115394-A2 Phenothiazone derivatives and analogs MERCK FROSST CANADA INC. (CA) 1984-08-08 — — EP 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 (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-20090220583-A1 Method and composition for treating inflammatory disorders LIPA, HRH2, HRH1 SNCA 4063/4885MAPT 2546/4885KMT2A 2361/4885
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 SNCA 4063/4885MAPT 2546/4885KMT2A 2361/4885

“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.

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