SCHEMBL8235232

SCHEMBL8235232

COC(=O)c1sc2nccc(OC)c2c1I

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.58
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.42
GRM1 Q13255 6/20 0.42
TP53 P04637 1/20 0.41
ATM Q13315 1/20 0.40
LIMK1 P53667 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL7847377 0.83 IKBKB (0.78) IKBKBKDM4EALDH1A1LMNAHPGD
SCHEMBL8235914 0.81 IKBKB (0.55) IKBKBKDM4EALDH1A1LMNAHPGD
SCHEMBL8235814 0.81 ALDH1A1 (0.55) IKBKBKDM4EALDH1A1LMNAHPGD
SCHEMBL12507921 0.81 IKBKB (0.55) IKBKBKDM4EALDH1A1LMNAHPGD
SCHEMBL8235913 0.80 IKBKB (0.54) IKBKBKDM4EALDH1A1LMNAHPGD
SCHEMBL8244122 0.78 IKBKB (0.52) IKBKBKDM4EALDH1A1LMNAHPGD
SCHEMBL8241663 0.76 HSD17B10 (0.56) IKBKBKDM4EALDH1A1HPGDATM
SCHEMBL8242662 0.75 KDM4E (0.80) IKBKBKDM4EALDH1A1LMNAHPGD
SCHEMBL8277857 0.75 KDM4E (0.80) IKBKBKDM4EALDH1A1LMNAHPGD
SCHEMBL13449512 0.74 IKBKB (0.47) IKBKBKDM4EALDH1A1LMNAGRM1

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 9 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-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-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 IKBKB 2981/4885KDM4E 2200/4885ALDH1A1 1119/4885
US-20070072863-A1 Fused tricyclic mGluR1 antagonists as therapeutic agents GRM1, GRM3, GRIN1 IKBKB 2890/4885KDM4E 1235/4885ALDH1A1 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.