SCHEMBL563829

SCHEMBL563829

COc1ccc(Cc2nc(N)c(N)c(NCCCCS(C)(=O)=O)c2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP2D6 P10635 1/20 0.44
ATM Q13315 1/20 0.44
PTGS2 P35354 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC2A1 P11166 1/20 0.39
TLR7 Q9NYK1 4/20 0.37
TLR8 Q9NR97 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
PKM P14618 1/20 0.34
KDR P35968 1/20 0.34
LMNA P02545 2/20 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
SCHEMBL562499 0.87 MAPT (0.40) ALDH1A1CYP2D6ATMPTGS2NPSR1
SCHEMBL563260 0.80 TLR7 (0.42) ALDH1A1PTGS2SLC2A1TLR7TLR8
SCHEMBL562853 0.72 EGFR (0.46) ALDH1A1NPSR1TLR7TLR8CA1
SCHEMBL28585742 0.69 ALDH1A1 (0.64) ALDH1A1CYP2D6ATMNPSR1SMN1; SMN2
SCHEMBL23612255 0.67 ALDH1A1 (0.82) ALDH1A1CYP2D6ATMNPSR1SMN1; SMN2
SCHEMBL30055740 0.67 ALDH1A1 (0.82) ALDH1A1CYP2D6ATMNPSR1SMN1; SMN2
SCHEMBL30547170 0.67 ATM (0.51) ALDH1A1CYP2D6ATMNPSR1MAPT
SCHEMBL29090412 0.67 ATM (0.51) ALDH1A1CYP2D6ATMNPSR1MAPT
SCHEMBL28528829 0.66 ALDH1A1 (0.69) ALDH1A1CYP2D6ATMNPSR1LMNA
SCHEMBL854178 0.65 ALDH1A1 (0.51) ALDH1A1CYP2D6ATMNPSR1SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods PFIZER INC. (US) 2012-02-09 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-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 ALDH1A1 623/4885CYP2D6 660/4885ATM 4538/4885

“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.