Sugi Predict

Sugi Predict / Compounds / SCHEMBL495789

SCHEMBL495789

SCHEMBL495789

COC(=O)c1nc(C)sc1-c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.72
▸ PKM P14618 3/20 0.72
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ ALDH1A1 P00352 3/20 0.72
▸ L3MBTL1 Q9Y468 2/20 0.72
▸ RCE1 Q9Y256 1/20 0.53
▸ HPGD P15428 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TP53 P04637 1/20 0.50
▸ MDM2 Q00987 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ PTGS1 P23219 2/20 0.49
▸ PTGS2 P35354 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ PTGDR2 Q9Y5Y4 1/20 0.48
▸ LMNA P02545 1/20 0.48

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
SCHEMBL271015 0.88 ALDH1A1 (0.56) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL923728 0.85 KDM4E (0.53) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL496662 0.85 KDM4E (0.72) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL271104 0.85 KDM4E (0.53) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL496791 0.85 KDM4E (0.71) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL924935 0.85 KDM4E (0.74) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9586961 0.84 KDM4E (1.00) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL270001 0.84 KDM4E (0.52) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL270516 0.83 HCRTR1 (0.52) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL269233 0.83 SMN1; SMN2 (0.51) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1

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
EP-2188282-B1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-23 — — EP disclosed
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 — — US disclosed
US-20110263662-A1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-27 — — US disclosed
EP-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 — — EP disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 — — US disclosed
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 — — US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 — — EP disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 — — EP disclosed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 — — US disclosed
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-22 — — US disclosed
EP-2188282-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-05-26 — — EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 — — WO disclosed
EP-2164847-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-03-24 — — EP disclosed
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 — — EP disclosed
WO-2009022311-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-19 — — WO disclosed
WO-2009004584-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-01-08 — — WO disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 — — 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 (4 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 1140/4885PKM 3781/4885SMN1; SMN2 4015/4885
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R KDM4E 903/4885PKM 4399/4885SMN1; SMN2 2584/4885
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS HCRTR2, HCRTR1, OXTR KDM4E 711/4885PKM 4646/4885SMN1; SMN2 3790/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 KDM4E 452/4885PKM 2251/4885SMN1; SMN2 3751/4885

“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.