SCHEMBL5480908

SCHEMBL5480908

COc1cc(C(=O)NN)cc(Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 4/20 0.57
GAA P10253 2/20 0.57
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
TAS1R2 Q8TE23 1/20 0.56
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NSD2 O96028 1/20 0.41
ALPL P05186 1/20 0.41
POLB P06746 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL6505475 0.84 TAS1R3 (0.56) ALDH1A1KDM4EGAATAS1R3TAS1R1
SCHEMBL6402681 0.82 KDM4E (0.52) ALDH1A1KDM4EGAAMAPTBCHE
SCHEMBL31287794 0.81 ALDH1A1 (0.76) ALDH1A1KDM4EGAATAS1R3TAS1R1
SCHEMBL567975 0.81 ALDH1A1 (0.76) ALDH1A1KDM4EGAATAS1R3TAS1R1
SCHEMBL13570729 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL837798 0.80 ALDH1A1 (0.56) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL5761347 0.80 ALDH1A1 (0.52) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL931870 0.80 ALDH1A1 (0.52) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL661794 0.79 TAS1R3 (0.69) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL13687513 0.79 TAS1R3 (0.48) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2

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
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1716143-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-02-02 US disclosed
WO-2005080386-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 WO 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-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 ALDH1A1 3756/4885KDM4E 2508/4885GAA 3233/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 ALDH1A1 3616/4885KDM4E 2582/4885GAA 3016/4885

“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.