SCHEMBL496564

SCHEMBL496564

COc1ccc(-c2sc(C)nc2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 2/20 0.49
▸ PTGS2 P35354 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HCRTR1 O43613 3/20 0.47
▸ HCRTR2 O43614 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ PRKAB1 Q9Y478 1/20 0.47
▸ ALOX5 P09917 3/20 0.47
▸ RECQL P46063 1/20 0.46
▸ ALPL P05186 1/20 0.44
▸ CA9 Q16790 1/20 0.44

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
SCHEMBL496662 0.87 KDM4E (0.72) KDM4EPKMALDH1A1HPGDPTGS2
SCHEMBL268643 0.84 KDM4E (0.49) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL22256926 0.83 TARBP2 (0.57) KDM4EPKMALDH1A1HPGDMAPT
SCHEMBL269009 0.83 PIN1 (0.61) KDM4EALDH1A1HPGDHCRTR1HCRTR2
SCHEMBL80459 0.82 ALOX5 (0.61) KDM4EALDH1A1HPGDPTGS2LMNA
SCHEMBL21615580 0.82 PPARD (0.47) KDM4EPKMHCRTR1HCRTR2
SCHEMBL270942 0.81 HCRTR1 (0.51) PTGS2HCRTR1HCRTR2ALOX5
SCHEMBL269233 0.81 SMN1; SMN2 (0.51) KDM4EPKMALDH1A1PTGS2HCRTR1
SCHEMBL925813 0.81 PTGS2 (0.49) ALDH1A1PTGS2HCRTR1HCRTR2ALOX5
SCHEMBL17948786 0.80 KDM4E (0.53) KDM4EPKMALDH1A1HPGDPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 — — US disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 — — US disclosed
US-10329287-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-25 — — US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 — — US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 — — US disclosed
EP-2855453-B1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 — — EP disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 — — US disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 — — US 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
US-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-06 — — US disclosed
EP-2164847-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-03-24 — — EP disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 — — WO disclosed
EP-2125760-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 — — EP disclosed
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 — — EP disclosed
WO-2009004584-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-01-08 — — WO disclosed
WO-2008117241-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-02 — — 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 (8 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-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R KDM4E 2288/4885PKM 813/4885ALDH1A1 519/4885
US-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R KDM4E 3188/4885PKM 2881/4885ALDH1A1 680/4885
US-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R KDM4E 2320/4885PKM 842/4885ALDH1A1 604/4885
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R KDM4E 903/4885PKM 4399/4885ALDH1A1 1961/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R KDM4E 2320/4885PKM 842/4885ALDH1A1 604/4885
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS HCRTR2, HCRTR1, OXTR KDM4E 711/4885PKM 4646/4885ALDH1A1 731/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R KDM4E 2320/4885PKM 842/4885ALDH1A1 604/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R KDM4E 2320/4885PKM 842/4885ALDH1A1 604/4885

“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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