Sugi Predict

Sugi Predict / Compounds / SCHEMBL269345

SCHEMBL269345

SCHEMBL269345

COC(=O)c1nc(C)sc1-c1cccc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.52
▸ PKM P14618 2/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HCRTR1 O43613 10/20 0.50
▸ HCRTR2 O43614 10/20 0.50
▸ PIN1 Q13526 1/20 0.50
▸ USP2 O75604 1/20 0.48
▸ NR1H2 P55055 1/20 0.48
▸ NR1H3 Q13133 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ RCE1 Q9Y256 1/20 0.46

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
SCHEMBL269009 0.88 PIN1 (0.61) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL982254 0.87 KDM4E (0.52) KDM4EPKMSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL270026 0.86 KDM4E (0.53) KDM4EPKMSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL982083 0.86 KDM4E (0.72) KDM4EPKMSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL2923794 0.86 POLQ (0.46) KDM4EPKMSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL2925296 0.85 KDM4E (0.52) KDM4EPKMSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL7128610 0.85 KDM4E (0.44) KDM4EPKMSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL1338488 0.84 KDM4E (0.51) KDM4EPKMSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL924923 0.84 KDM4E (0.58) KDM4EPKMSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL270516 0.84 HCRTR1 (0.52) KDM4EPKMSMN1; SMN2ALDH1A1HSD17B10

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 40 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-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 — — US disclosed
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 — — US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 — — US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 — — US disclosed
US-8133901-B2 3-heteroaryl (amino or amido)-1-(biphenyl or phenylthiazolyl) carbonylpiperidine derivatives as orexin receptor inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 — — US 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-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-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-2008065626-A2 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVESAS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2008-06-05 — — 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
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 — — WO disclosed
WO-2003051368-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-06-26 — — 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 (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-20110263662-A1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, OXTR KDM4E 1140/4885PKM 3781/4885SMN1; SMN2 4015/4885
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes TACR2, TACR1, AGTR1 KDM4E 4231/4885PKM 4742/4885SMN1; SMN2 2847/4885

“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.