SCHEMBL4983744

SCHEMBL4983744

COc1ccc(CC(=O)N2CCc3[c]nc(C(N)=O)nc3C2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.47
GFER P55789 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.44
ATM Q13315 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
PI4KB Q9UBF8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41
NAMPT P43490 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL4983019 0.87 SIGMAR1 (0.47) ALDH1A1LMNAKDM4EKMT2ANPC1
SCHEMBL4988720 0.86 HSD17B10 (0.41) ALDH1A1GFERKDM4EHSD17B10KMT2A
SCHEMBL4983018 0.84 KMT2A (0.45) HTTALDH1A1LMNAKDM4EKMT2A
SCHEMBL4986045 0.83 POLB (0.42) ALDH1A1LMNAKMT2ANPC1MEN1
SCHEMBL4988610 0.79 CGAS (0.36) LMNAHSD17B10KMT2ANAMPT
SCHEMBL4992436 0.79 MAPK1 (0.47) HTTALDH1A1LMNAKDM4EKMT2A
SCHEMBL4986695 0.78 KDM4E (0.52) HTTALDH1A1LMNAKDM4EKMT2A
SCHEMBL4984986 0.77 GRM2 (0.43) HTTALDH1A1KDM4EKMT2AMEN1
SCHEMBL4988101 0.77 HTT (0.46) HTTALDH1A1KDM4EHSD17B10
SCHEMBL4985287 0.77 NPC1 (0.54) HTTALDH1A1LMNAKDM4EHSD17B10

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 HTT 4422/4885ALDH1A1 3640/4885LMNA 1911/4885

“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.