SCHEMBL978620

SCHEMBL978620

Cc1ccc(C#Cc2nccn2-c2ccn(CCO)c(=O)c2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL980040 0.90 PTGDR2 (0.32) TP53PTGDR2
SCHEMBL981482 0.89 TP53 (0.33) TP53ALDH1A1
SCHEMBL981196 0.88 PDE10A (0.34) TP53ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL14889524 0.88 ALDH1A1 (0.36) TP53ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL978968 0.88 TP53 (0.36) TP53ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL980057 0.87 ALDH1A1 (0.39) TP53ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL981485 0.85 PLK1 (0.39) TP53
SCHEMBL979704 0.85 GRIN2B (0.38) TP53
SCHEMBL979169 0.85 KDM1A (0.36) TP53PTGDR2
SCHEMBL978762 0.84 LMNA (0.37) TP53ALDH1A1KDM4ESMN1; SMN2

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 5 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
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 TP53 4689/4885ALDH1A1 1642/4885KDM4E 1373/4885

“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.