SCHEMBL978762

SCHEMBL978762

CCOC(=O)Cn1ccc(-n2ccnc2C#Cc2ccc(C)cc2C)cc1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C19 P33261 1/20 0.35
FPR2 P25090 3/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 2/20 0.33
EGFR P00533 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL979704 0.88 GRIN2B (0.38) CYP2C19TP53
SCHEMBL980057 0.87 ALDH1A1 (0.39) LMNAALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL978968 0.84 TP53 (0.36) LMNAALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL978620 0.84 TP53 (0.34) ALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL981196 0.83 PDE10A (0.34) LMNAALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL979169 0.80 KDM1A (0.36) TP53EGFR
SCHEMBL981322 0.77 EGFR (0.34) TP53EGFR
SCHEMBL981014 0.75 TP53 (0.32) TP53EGFR
SCHEMBL980982 0.74 TP53 (0.30) TP53
SCHEMBL981048 0.73 TP53 (0.33) ALDH1A1TP53EGFR

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 LMNA 4857/4885TSHR 141/4885ALDH1A1 1642/4885

“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.