SCHEMBL2303335

SCHEMBL2303335

O=c1nc[nH]c2c1sc1ncncc12

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
TMIGD3 P0DMS9 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADORA1 P30542 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2303673 0.75 ALDH1A1 (0.32) ALDH1A1RAB9A
SCHEMBL271817 0.75 LIMK1 (0.41) ALDH1A1LMNAHPGDRAB9A
SCHEMBL2303344 0.75 HPGD (0.43) CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1
SCHEMBL2303768 0.74 KDM4A (0.41) ALDH1A1
SCHEMBL6111581 0.72 KDM4E (0.41) ALDH1A1HPGD
SCHEMBL2302794 0.71 KDM4A (0.44) ALDH1A1HPGD
SCHEMBL2300776 0.69 ALDH1A1 (0.34) ALDH1A1HPGDRAB9A
SCHEMBL1704740 0.67 RPS6KA5 (0.37) ALDH1A1LMNAHPGDRAB9A
SCHEMBL19040891 0.64 PIM1 (0.46) ALDH1A1
SCHEMBL5992997 0.64 KDM4E (0.56) CYP1A2CYP2C9ALDH1A1LMNAHPGD

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 8 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
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-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-7485648-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-02-03 US disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 US disclosed
US-20060009477-A1 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION 2006-01-12 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 (4 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 CYP1A2 2877/4885TMIGD3 346/4885CYP2C9 2337/4885
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents GRM1, GRM4, GRIA1 CYP1A2 2877/4885TMIGD3 346/4885CYP2C9 2337/4885
US-20060009477-A1 mGluR1 antagonists as therapeutic agents GRM1, GRM4, GRIA1 CYP1A2 2876/4885TMIGD3 343/4885CYP2C9 2357/4885
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents GRM1, GRM4, GRIA1 CYP1A2 2877/4885TMIGD3 346/4885CYP2C9 2337/4885

“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.