SCHEMBL8236241

SCHEMBL8236241

COC(=O)c1sc2nccc(N(C)C)c2c1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
HTT P42858 5/20 0.59
KDM4E B2RXH2 5/20 0.59
CDK8 P49336 1/20 0.59
CDK19 Q9BWU1 1/20 0.59
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 2/20 0.50
STAT1 P42224 1/20 0.50
HSD17B10 Q99714 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL8242094 0.85 ALDH1A1 (0.63) ALDH1A1HTTKDM4ECDK8CDK19
SCHEMBL8235814 0.84 ALDH1A1 (0.55) ALDH1A1HTTKDM4ECDK8CDK19
SCHEMBL8242756 0.84 ALDH1A1 (0.74) ALDH1A1HTTKDM4ECDK8CDK19
SCHEMBL14518102 0.83 ALDH1A1 (0.57) ALDH1A1HTTKDM4ECDK8CDK19
SCHEMBL8241638 0.83 ALDH1A1 (0.54) ALDH1A1HTTKDM4ECDK8CDK19
SCHEMBL8243107 0.82 ALDH1A1 (0.53) ALDH1A1HTTKDM4ECDK8CDK19
SCHEMBL8241967 0.81 ALDH1A1 (0.52) ALDH1A1HTTKDM4ECDK8CDK19
SCHEMBL8241629 0.81 ALDH1A1 (0.52) ALDH1A1HTTKDM4ECDK8CDK19
SCHEMBL8235186 0.79 ALDH1A1 (0.50) ALDH1A1HTTKDM4ECDK8CDK19
SCHEMBL6101444 0.78 KDM4E (0.78) ALDH1A1HTTKDM4ECDK8CDK19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931683-B1 FUSED TRICYCLIC MGLUR1 ANTAGONISTS AS THERAPEUTIC AGENTS SCHERING CORP (US) 2011-07-13 EP disclosed
US-7767815-B2 Fused tricyclic mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2010-08-03 US disclosed
US-7767815-B2 Fused tricyclic mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2010-08-03 US disclosed
US-7687501-B2 Pyridothienopyridazinone derivatives as mGluR1 antagonists SCHERING CORPORATION (US) 2010-03-30 US disclosed
US-7687501-B2 Pyridothienopyridazinone derivatives as mGluR1 antagonists SCHERING CORPORATION (US) 2010-03-30 US disclosed
US-20070072864-A1 Fused tricyclic mGIuR1 antagonists as therapeutic agents SCHERING CORPORATION 2007-03-29 US disclosed
US-20070072864-A1 Fused tricyclic mGIuR1 antagonists as therapeutic agents SCHERING CORPORATION 2007-03-29 US disclosed
US-20070072863-A1 Fused tricyclic mGluR1 antagonists as therapeutic agents SCHERING CORPORATION 2007-03-29 US disclosed
US-20070072863-A1 Fused tricyclic mGluR1 antagonists as therapeutic agents SCHERING CORPORATION 2007-03-29 US disclosed
WO-2007032854-A1 FUSED TRICYCLIC mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION (US) 2007-03-22 WO disclosed
WO-2007024593-A1 FUSED TRICYCLIC MGLUR1 ANTAGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION (US) 2007-03-01 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-20070072864-A1 Fused tricyclic mGIuR1 antagonists as therapeutic agents GRM1, GRM3, GRIN1 ALDH1A1 1119/4885HTT 501/4885KDM4E 2200/4885
US-20070072863-A1 Fused tricyclic mGluR1 antagonists as therapeutic agents GRM1, GRM3, GRIN1 ALDH1A1 1121/4885HTT 339/4885KDM4E 1235/4885

“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.