SCHEMBL4946156

SCHEMBL4946156

Cc1ccc(O)c(C2=CN(CSc3nnc(-c4ccncc4)n3C3CC3)NO2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
RXFP1 Q9HBX9 1/20 0.44
ALPL P05186 2/20 0.42
ALPI P09923 1/20 0.42
CYP3A4 P08684 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 2/20 0.34
HDAC3 O15379 1/20 0.34
PTK2 Q05397 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL4945240 0.79 GAA (0.42) GAARXFP1ALPLALPICYP3A4
SCHEMBL4944871 0.78 GAA (0.44) GAARXFP1ALPLALPICYP3A4
SCHEMBL1544418 0.77 CYP3A4 (0.66) GAARXFP1ALPLALPICYP3A4
SCHEMBL22019056 0.69 GAA (0.60) GAARXFP1ALPLALPICYP3A4
SCHEMBL11511399 0.69 GAA (0.55) GAARXFP1ALPLALPICYP3A4
SCHEMBL1544295 0.68 CYP3A4 (0.71) GAARXFP1CYP3A4CTDSP1TDP1
SCHEMBL1543820 0.68 CYP3A4 (0.66) GAARXFP1CYP3A4CTDSP1TDP1
SCHEMBL1544150 0.68 MEN1 (0.59) GAARXFP1CYP3A4CTDSP1TDP1
SCHEMBL1543691 0.68 CYP3A4 (0.70) GAARXFP1ALPLALPICYP3A4
SCHEMBL4946194 0.67 HDAC2 (0.49) CYP3A4TDP1TSHRKMT2AALDH1A1

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 GAA 1923/4885RXFP1 646/4885ALPL 4845/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 GAA 1542/4885RXFP1 717/4885ALPL 4814/4885

“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.