SCHEMBL268643

SCHEMBL268643

Cc1ccc(-c2sc(C)nc2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
GAA P10253 4/20 0.49
RAB9A P51151 1/20 0.49
ALOX5 P09917 2/20 0.46
ALDH1A1 P00352 6/20 0.45
HCRTR1 O43613 6/20 0.45
HCRTR2 O43614 6/20 0.45
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALPL P05186 1/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL80459 0.88 ALOX5 (0.61) KDM4ERAB9AALOX5ALDH1A1HCRTR1
SCHEMBL269233 0.87 SMN1; SMN2 (0.51) KDM4ERAB9AALOX5ALDH1A1HCRTR1
SCHEMBL270942 0.87 HCRTR1 (0.51) ALOX5HCRTR1HCRTR2
SCHEMBL925813 0.87 PTGS2 (0.49) ALOX5ALDH1A1HCRTR1HCRTR2HSD17B10
SCHEMBL2547639 0.85 KDM4E (0.47) KDM4EGAARAB9AALOX5ALDH1A1
SCHEMBL269439 0.84 SMN1; SMN2 (0.48) KDM4ERAB9AALOX5ALDH1A1HCRTR1
SCHEMBL496564 0.84 KDM4E (0.55) KDM4EGAAALOX5ALDH1A1HCRTR1
SCHEMBL13216150 0.84 COPS5 (0.46) KDM4ERAB9AALOX5ALDH1A1HCRTR1
SCHEMBL923230 0.83 KDM4E (0.58) KDM4EGAARAB9AALOX5ALDH1A1
SCHEMBL1338263 0.83 GAA (0.44) GAAALOX5ALDH1A1HCRTR1HCRTR2

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 80 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 claimed
CN-101903353-A Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2010-12-01 CN claimed
CN-101903378-A Aminotriazole derivatives ACTELION PHARMACEUTICALS LTD 2010-12-01 CN claimed
EP-2188282-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-05-26 EP claimed
WO-2009022311-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-19 WO claimed
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 US disclosed
WO-2020099511-A1 BENZIMIDAZOLE-2-METHYL-MORPHOLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-05-22 WO disclosed
WO-2020007977-A1 7-TRIFLUOROMETHYL-[1,4]DIAZEPAN DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-01-09 WO disclosed
WO-2020007964-A1 2-(2-AZABICYCLO[3.1.0]HEXAN-1-YL)-1H-BENZIMIDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-01-09 WO 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
WO-2009022311-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-19 WO disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO disclosed
WO-2009016564-A2 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO 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-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 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-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R KDM4E 2320/4885GAA 2500/4885RAB9A 3279/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R KDM4E 2320/4885GAA 2500/4885RAB9A 3279/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R KDM4E 2320/4885GAA 2500/4885RAB9A 3279/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R KDM4E 2320/4885GAA 2500/4885RAB9A 3279/4885

“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.