SCHEMBL2587673

SCHEMBL2587673

N#Cc1c(F)ccc(F)c1-c1ccc2c(c1)sc(=O)n2CC1CC1(F)F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM1A O60341 3/20 0.33
METAP2 P50579 1/20 0.32
CNR2 P34972 8/20 0.32
CNR1 P21554 4/20 0.32
PARG Q86W56 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL2585391 0.87 KDM1A (0.35) KDM1AMETAP2CNR2CNR1
SCHEMBL14673922 0.86 KDM1A (0.37) MAPTSMN1; SMN2KDM1AMETAP2CNR2
SCHEMBL14673413 0.85 ABL1 (0.38) METAP2CNR2CNR1PARGSIGMAR1
SCHEMBL14673429 0.84 KDM1A (0.36) MAPTSMN1; SMN2KDM1AMETAP2CNR2
SCHEMBL14673615 0.81 KDM1A (0.38) KDM1AMETAP2CNR2CNR1PARG
SCHEMBL14673513 0.80 NR3C1 (0.36) KDM1AMETAP2CNR2SIGMAR1
SCHEMBL2588562 0.77 ABL1 (0.42) MAPTKDM1AMETAP2CNR2CNR1
SCHEMBL2594665 0.77 METAP2 (0.39) MAPTKDM1AMETAP2CNR2CNR1
SCHEMBL14673572 0.75 METAP2 (0.35) MAPTSMN1; SMN2METAP2CNR2CNR1
SCHEMBL2590805 0.74 CNR2 (0.39) CNR2CNR1PARGSIGMAR1

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 14 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-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

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 MAPT 727/4885SMN1; SMN2 1154/4885KDM1A 2037/4885
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 MAPT 617/4885SMN1; SMN2 1101/4885KDM1A 2017/4885

“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.