SCHEMBL981196

SCHEMBL981196

COCCn1ccc(-n2ccnc2C#Cc2ccc(C)cc2C)cc1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.34
ACACB O00763 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
GLO1 Q04760 1/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.31
EGFR P00533 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIN2B Q13224 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL979774 0.90 ACACB (0.34) PDE10AACACBGLO1EGFRMEN1
SCHEMBL978620 0.88 TP53 (0.34) PDE10AKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL981482 0.87 TP53 (0.33) ALDH1A1TP53EGFR
SCHEMBL978761 0.85 TP53 (0.31) KDM4EALDH1A1HTTSMN1; SMN2TP53
SCHEMBL14889524 0.84 ALDH1A1 (0.36) KDM4EALDH1A1HTTSMN1; SMN2TP53
SCHEMBL978968 0.84 TP53 (0.36) KDM4EALDH1A1HTTSMN1; SMN2TP53
SCHEMBL979169 0.83 KDM1A (0.36) TP53EGFRPTGDR2
SCHEMBL980057 0.83 ALDH1A1 (0.39) KDM4EALDH1A1HTTSMN1; SMN2TP53
SCHEMBL978762 0.83 LMNA (0.37) KDM4EALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL981485 0.82 PLK1 (0.39) TP53LMNA

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 PDE10A 1280/4885ACACB 4424/4885KDM4E 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.