Sugi Predict

Sugi Predict / Compounds / SCHEMBL2586954

SCHEMBL2586954

SCHEMBL2586954

O=c1sc2cc(-c3ccccc3)ccc2n1CC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RORC P51449 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPK8 P45983 2/20 0.39

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
SCHEMBL2588196 0.95 L3MBTL1 (0.41) SIGMAR1KDM4EPKML3MBTL1RORC
SCHEMBL7712534 0.82 SMN1; SMN2 (0.38) SIGMAR1CNR2KDM4EALDH1A1NPSR1
SCHEMBL2585570 0.82 CNR2 (0.37) CNR2RORC
SCHEMBL2594946 0.81 CNR2 (0.38) CNR2KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL2585388 0.80 DRD2 (0.39) CNR2RORC
SCHEMBL2594090 0.79 OXTR (0.37) SIGMAR1CNR2SMN1; SMN2
SCHEMBL2595960 0.79 PTPRC (0.39) SIGMAR1KDM4EALDH1A1PKML3MBTL1
SCHEMBL2594209 0.79 L3MBTL1 (0.39) SIGMAR1CNR2ALDH1A1L3MBTL1RORC
SCHEMBL15712855 0.79 CDYL2 (0.46) SIGMAR1CNR2KDM4EALDH1A1NPSR1
SCHEMBL2591170 0.77 ICMT (0.49) PKMSMN1; SMN2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952005-B2 Substituted 1,3-benzothiazol-2(3H)-ones and [1,3]thiazolo[5,4-B]pyridin-2(1H)-ones as positive allosteric modulators of mGluR2 MERCK SHARP & DOHME CORP. (US) 2015-02-10 — — US claimed
US-20140045829-A1 SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2014-02-13 — — US claimed
EP-2563143-A1 SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Merck Sharp & Dohme Corp. (US) 2013-03-06 — — EP claimed
US-20130035332-A1 Substituted 1,3-Benzothiazol-2(3H)-Ones and [1,3]Thiazolo[5,4-B]Pyridin-2(IH)-Ones as Positive Allosteric Modulators of MGLUR2 MERCK SHARP & DOHME CORP. 2013-02-07 — — US claimed
WO-2011137046-A1 SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2011-11-03 — — WO claimed
US-8952005-B2 Substituted 1,3-benzothiazol-2(3H)-ones and [1,3]thiazolo[5,4-B]pyridin-2(1H)-ones as positive allosteric modulators of mGluR2 MERCK SHARP & DOHME CORP. (US) 2015-02-10 — — US disclosed
US-8952005-B2 Substituted 1,3-benzothiazol-2(3H)-ones and [1,3]thiazolo[5,4-B]pyridin-2(1H)-ones as positive allosteric modulators of mGluR2 MERCK SHARP & DOHME CORP. (US) 2015-02-10 — — US disclosed
US-8952005-B2 Substituted 1,3-benzothiazol-2(3H)-ones and [1,3]thiazolo[5,4-B]pyridin-2(1H)-ones as positive allosteric modulators of mGluR2 MERCK SHARP & DOHME CORP. (US) 2015-02-10 — — US disclosed
US-8846686-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-30 — — US disclosed
US-20140045829-A1 SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2014-02-13 — — US disclosed
US-20140045829-A1 SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2014-02-13 — — US disclosed
US-20140045829-A1 SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2014-02-13 — — US disclosed
US-20130035332-A1 Substituted 1,3-Benzothiazol-2(3H)-Ones and [1,3]Thiazolo[5,4-B]Pyridin-2(IH)-Ones as Positive Allosteric Modulators of MGLUR2 MERCK SHARP & DOHME CORP. 2013-02-07 — — US disclosed
US-20130035332-A1 Substituted 1,3-Benzothiazol-2(3H)-Ones and [1,3]Thiazolo[5,4-B]Pyridin-2(IH)-Ones as Positive Allosteric Modulators of MGLUR2 MERCK SHARP & DOHME CORP. 2013-02-07 — — US disclosed
US-20130035332-A1 Substituted 1,3-Benzothiazol-2(3H)-Ones and [1,3]Thiazolo[5,4-B]Pyridin-2(IH)-Ones as Positive Allosteric Modulators of MGLUR2 MERCK SHARP & DOHME CORP. 2013-02-07 — — US disclosed
WO-2011137046-A1 SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2011-11-03 — — 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 (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-20130035332-A1 Substituted 1,3-Benzothiazol-2(3H)-Ones and [1,3]Thiazolo[5,4-B]Pyridin-2(IH)-Ones as Positive Allosteric Modulators of MGLUR2 GRM2, GRM1, GRIK2 SIGMAR1 325/4885CNR2 69/4885KDM4E 2559/4885
US-20140045829-A1 SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 GRM2, GRM1, GRM3 SIGMAR1 279/4885CNR2 65/4885KDM4E 2563/4885

“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.