SCHEMBL8241663

SCHEMBL8241663

COC(=O)c1sc2ncnc(OC)c2c1I

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.43
ATM Q13315 1/20 0.41
MKNK2 Q9HBH9 8/20 0.41
MKNK1 Q9BUB5 1/20 0.38
IKBKB O14920 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL8235229 0.83 HSD17B10 (0.56) HSD17B10HPGDALDH1A1ATMIKBKB
SCHEMBL8235403 0.81 HSD17B10 (0.54) HSD17B10HPGDALDH1A1ATMMKNK2
SCHEMBL8241340 0.80 HSD17B10 (0.56) HSD17B10HPGDALDH1A1ATMMKNK2
SCHEMBL8241753 0.78 HSD17B10 (0.54) HSD17B10HPGDALDH1A1ATMMKNK2
SCHEMBL8235232 0.76 IKBKB (0.58) HPGDALDH1A1ATMIKBKBKDM4E
SCHEMBL23630827 0.72 HSD17B10 (1.00) HSD17B10HPGDALDH1A1KDM4EMAPT
SCHEMBL13199807 0.71 ALDH1A1 (0.43) HSD17B10HPGDALDH1A1SMN1; SMN2CYP1A2
SCHEMBL2185697 0.71 HSD17B10 (0.44) HSD17B10HPGDALDH1A1ATMMKNK2
SCHEMBL8235814 0.71 ALDH1A1 (0.55) HSD17B10HPGDALDH1A1ATMIKBKB
SCHEMBL2185775 0.70 HPGD (0.47) HSD17B10HPGDALDH1A1ATMMKNK2

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 HSD17B10 2112/4885HPGD 1841/4885ALDH1A1 1119/4885
US-20070072863-A1 Fused tricyclic mGluR1 antagonists as therapeutic agents GRM1, GRM3, GRIN1 HSD17B10 2071/4885HPGD 1644/4885ALDH1A1 1121/4885

“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.