SCHEMBL981048

SCHEMBL981048

Cc1ccc(C#Cc2nccn2-c2cc[nH]c(=O)c2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
HCAR1 Q9BXC0 2/20 0.32
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.30

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
SCHEMBL980913 0.88 EGFR (0.31) TP53ALDH1A1EGFR
SCHEMBL979169 0.84 KDM1A (0.36) TP53HCAR1EGFR
SCHEMBL981482 0.79 TP53 (0.33) TP53ALDH1A1EGFR
SCHEMBL981146 0.79 KDR (0.32) EGFR
SCHEMBL980982 0.77 TP53 (0.30) TP53
SCHEMBL978968 0.76 TP53 (0.36) TP53ALDH1A1
SCHEMBL978620 0.76 TP53 (0.34) TP53ALDH1A1
SCHEMBL14889524 0.76 ALDH1A1 (0.36) TP53ALDH1A1EGFR
SCHEMBL980057 0.76 ALDH1A1 (0.39) TP53ALDH1A1
SCHEMBL981014 0.75 TP53 (0.32) TP53EGFR

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 claimed
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 4689/4885GABRP 71/4885GABRD 139/4885

“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.