SCHEMBL4983752

SCHEMBL4983752

COc1ccc(CC(=O)N2CCc3c(N)ncnc3C2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GFER P55789 1/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
LMNA P02545 2/20 0.44
PDE2A O00408 1/20 0.44
PDE3A Q14432 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.43
NAMPT P43490 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL4990962 0.86 SMN1; SMN2 (0.54) ALDH1A1HPGDHSD17B10GFERKMT2A
SCHEMBL4983021 0.85 SIGMAR1 (0.50) ALDH1A1KMT2ANPC1MEN1ABCB1
SCHEMBL4988726 0.84 P2RX3 (0.46) ALDH1A1KDM4EHSD17B10KMT2ANPC1
SCHEMBL4989398 0.82 MAPK1 (0.58) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4986049 0.81 POLB (0.45) ALDH1A1KMT2ANPC1MEN1SMN1; SMN2
SCHEMBL4989360 0.80 NPC1 (0.46) ALDH1A1KDM4EKMT2ANPC1MEN1
SCHEMBL4983022 0.80 KDM4E (0.46) HTTALDH1A1KDM4EKMT2AMEN1
SCHEMBL14272305 0.79 TSHR (0.49) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13532472 0.78 ALDH1A1 (0.43) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4988613 0.78 CGAS (0.40) ALDH1A1HPGDHSD17B10KMT2AMEN1

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 3640/4885KDM4E 4128/4885

“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.