SCHEMBL8243458

SCHEMBL8243458

CCN(C)c1ncnc2sc(C(=O)OC)c(/N=C\N(C)C)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 5/20 0.53
LMNA P02545 4/20 0.53
HSD17B10 Q99714 4/20 0.52
HTT P42858 3/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
TSHR P16473 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.36
ATM Q13315 1/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL13924000 1.00 KDM4E (0.53) KDM4EALDH1A1LMNAHSD17B10HTT
SCHEMBL8237095 0.89 KDM4E (0.53) KDM4EALDH1A1LMNAHSD17B10HTT
SCHEMBL8237099 0.89 KDM4E (0.53) KDM4EALDH1A1LMNAHSD17B10HTT
SCHEMBL8245982 0.80 KDM4E (0.46) KDM4EALDH1A1HSD17B10HTTCASP1
SCHEMBL13924001 0.78 KDM4E (0.48) KDM4EALDH1A1LMNAHSD17B10HTT
SCHEMBL8242657 0.78 KDM4E (0.48) KDM4EALDH1A1LMNAHSD17B10HTT
SCHEMBL14517536 0.77 KDM4E (0.42) KDM4EALDH1A1LMNAHSD17B10HTT
SCHEMBL6101444 0.75 KDM4E (0.78) KDM4EALDH1A1LMNAHSD17B10HTT
SCHEMBL8277857 0.75 KDM4E (0.80) KDM4EALDH1A1LMNAHSD17B10HTT
SCHEMBL8242662 0.75 KDM4E (0.80) KDM4EALDH1A1LMNAHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989464-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2011-08-02 US disclosed
US-7989464-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2011-08-02 US disclosed
EP-1966220-B1 MGLUR1 ANATGONISTS AS THERAPEUTIC AGENTS SCHERING CORP (US) 2011-01-26 EP disclosed
EP-1765829-B1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORP (US) 2010-07-07 EP disclosed
US-7598259-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-7598259-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-20090192178-A1 mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION 2009-07-30 US disclosed
US-20090192178-A1 mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION 2009-07-30 US disclosed
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents SCHERING CORPORATION 2009-03-26 US disclosed
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents SCHERING CORPORATION 2009-03-26 US disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 US disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 US disclosed
WO-2006002051-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORPORATION (US) 2006-01-05 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 (3 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-20090192178-A1 mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS GRM1, GRM4, GRIA1 KDM4E 1129/4885ALDH1A1 1026/4885LMNA 4462/4885
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents GRM1, GRM4, GRIA1 KDM4E 1129/4885ALDH1A1 1026/4885LMNA 4462/4885
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents GRM1, GRM4, GRIA1 KDM4E 1129/4885ALDH1A1 1026/4885LMNA 4462/4885

“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.