SCHEMBL981075

SCHEMBL981075

CCn1ncc(-n2cc(I)nc2C)cc1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL979238 0.84 TAS2R8 (0.32) L3MBTL1ALDH1A1KDM4EHSD17B10
SCHEMBL980906 0.81 PTGS1 (0.33)
SCHEMBL12948705 0.75 TLR8 (0.41) L3MBTL1ALDH1A1KDM4E
SCHEMBL12948835 0.74 TLR8 (0.42) ALDH1A1GAAKDM4EHSD17B10
SCHEMBL981015 0.71 CYP11B2 (0.33)
SCHEMBL24574648 0.68 ALDH1A1 (0.38) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL2379274 0.64 GRM5 (0.35)
SCHEMBL24575300 0.63 GAA (0.37) L3MBTL1PDE1APDE1BPDE1CALDH1A1
SCHEMBL978625 0.63 KMT2A (0.44) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL24574764 0.61 CNR2 (0.44) L3MBTL1ALDH1A1LMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456765-B1 IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-05-01 EP disclosed
US-8334287-B2 Imidazoles HOFFMANN-LA ROCHE INC. (US) 2012-12-18 US disclosed
EP-2456765-A1 IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-05-30 EP disclosed
CN-102471309-A Imidazole derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE 2012-05-23 CN disclosed
WO-2011006910-A1 IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-20 WO disclosed
US-20110015202-A1 IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2011-01-20 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 (1 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-20110015202-A1 IMIDAZOLES GRM5, GRM1, GRIK5 L3MBTL1 3429/4885PDE1A 1233/4885PDE1B 1043/4885

“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.