SCHEMBL5486417

SCHEMBL5486417

COC(=O)c1cc(-c2cccc(C#N)c2)on1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.56
MAPK1 P28482 1/20 0.56
TP53 P04637 5/20 0.56
MAPT P10636 2/20 0.56
THRB P10828 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
FAAH O00519 1/20 0.52
SCD O00767 2/20 0.51
SCD5 Q86SK9 1/20 0.51
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
PTPN1 P18031 1/20 0.48
MLLT1 Q03111 1/20 0.47

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
SCHEMBL5621967 0.84 NOTUM (0.67) NOTUMMAPK1TP53MAPTTDP1
SCHEMBL5483599 0.83 PTPN1 (0.69) TDP1FAAHSCDSCD5ALDH1A1
SCHEMBL2960641 0.81 NOTUM (0.62) NOTUMMAPK1TP53MAPTTHRB
SCHEMBL69157 0.80 MAPT (0.72) NOTUMMAPK1TP53MAPTLMNA
SCHEMBL4051030 0.80 NOTUM (0.60) NOTUMMAPK1TP53MAPTTDP1
SCHEMBL1545189 0.80 NOTUM (0.68) NOTUMMAPK1TP53MAPTTHRB
SCHEMBL5620616 0.80 MAPT (0.72) NOTUMMAPK1TP53MAPTTDP1
SCHEMBL22556944 0.78 GRM5 (0.60) ALDH1A1
SCHEMBL6288879 0.78 USP30 (0.47) MAPTTHRBLMNAALDH1A1
SCHEMBL18091774 0.77 TP53 (0.60) NOTUMMAPK1TP53MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 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-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 NOTUM 2476/4885MAPK1 2272/4885TP53 4883/4885

“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.