SCHEMBL980858

SCHEMBL980858

COC(=O)c1nc(Br)sc1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.71
▸ ALDH1A1 P00352 6/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.71
▸ HPGD P15428 3/20 0.71
▸ HSD17B10 Q99714 2/20 0.71
▸ GAA P10253 2/20 0.60
▸ PKM P14618 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ TRPM8 Q7Z2W7 1/20 0.49
▸ GRM6 O15303 1/20 0.48
▸ GRM5 P41594 1/20 0.48
▸ RCE1 Q9Y256 1/20 0.46
▸ ERCC1 P07992 1/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ ERCC4 Q92889 1/20 0.46
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALOX5 P09917 1/20 0.42

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
SCHEMBL2541994 0.86 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL924140 0.85 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL496791 0.84 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL1339928 0.84 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL13398515 0.84 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL982522 0.83 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL981446 0.83 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL982254 0.83 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL3318044 0.83 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL496802 0.83 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188282-B1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-23 — — EP disclosed
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 — — US disclosed
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 — — US disclosed
EP-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 — — EP disclosed
US-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 — — US disclosed
US-20110263662-A1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-27 — — US disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 — — US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 — — EP disclosed
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-26 — — US disclosed
EP-2094690-B1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-04-13 — — EP disclosed
US-20030195352-A1 Benzofuran and dihydrobenzofuran derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-10-16 — — US disclosed
EP-1343778-A2 DI-SUBSTITUTED AMINOMETHYL CHROMAN DERIVATIVE BETA-3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2003-09-17 — — EP disclosed
WO-2003037332-A1 PHENYL SUBSTITUTED 5-MEMBERED NITROGEN CONTAINING HETEROCYCLES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-08 — — WO disclosed
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 — — US disclosed
US-20030078258-A1 Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 — — US disclosed
WO-2003024948-A1 BENZOFURAN AND DIHYDROBENZOFURAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2003-03-27 — — WO disclosed
WO-2002085891-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-10-31 — — WO disclosed
WO-2002048134-A2 DI-SUBSTITUTED AMINOMETHYL CHROMAN DERIVATIVE BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-06-20 — — WO disclosed
US-5204482-A Ethylenediamine monoamide heteroaryl derivatives HOFFMAN-LAROCHE INC. (US) 1993-04-20 — — US disclosed
US-5011849-A Monoamine oxidase inhibitors HOFFMANN-LA ROCHE INC. (US) 1991-04-30 — — 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 (6 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-20110263662-A1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, OXTR KDM4E 1140/4885ALDH1A1 821/4885SMN1; SMN2 4015/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 KDM4E 4345/4885ALDH1A1 1358/4885SMN1; SMN2 1888/4885
US-20030195352-A1 Benzofuran and dihydrobenzofuran derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB1, ADRB2 KDM4E 4527/4885ALDH1A1 106/4885SMN1; SMN2 1597/4885
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CNR1 KDM4E 1064/4885ALDH1A1 807/4885SMN1; SMN2 3211/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 KDM4E 452/4885ALDH1A1 2292/4885SMN1; SMN2 3751/4885
US-20030078258-A1 Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists ADRB3, ADRB1, ADRB2 KDM4E 2936/4885ALDH1A1 1696/4885SMN1; SMN2 3858/4885

“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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