SCHEMBL4946151

SCHEMBL4946151

Cc1ccc(O)c(C2=CN(C(S)c3nnc(-c4ccncc4)n3C3CC3)NO2)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL4945234 0.78 CDK2 (0.33) CYP3A4
SCHEMBL4946156 0.77 GAA (0.46) CYP3A4GAARXFP1
SCHEMBL1544416 0.76 NPC1 (0.39) CYP3A4GAARXFP1
SCHEMBL28787695 0.69 RAB9A (0.44) CYP3A4GAARXFP1
SCHEMBL27810203 0.67 NPC1 (0.39) CYP3A4GAA
SCHEMBL27810154 0.67 KCNH2 (0.33) CYP3A4
SCHEMBL1544418 0.65 CYP3A4 (0.66) CYP3A4GAARXFP1
SCHEMBL4946016 0.63 KMT2A (0.34)
SCHEMBL4946013 0.61 GAA (0.35) CYP3A4GAARXFP1
SCHEMBL1423443 0.61 IDO1 (0.51) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-02 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 (2 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-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 CYP3A4 4116/4885GAA 1923/4885RXFP1 646/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 CYP3A4 4080/4885GAA 1542/4885RXFP1 717/4885

“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.