SCHEMBL4990962

SCHEMBL4990962

COc1ccc(CC(=O)N2CCc3c(N)ncnc3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
ABCB1 P08183 1/20 0.51
ABCC1 P33527 1/20 0.51
MAPT P10636 2/20 0.50
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 5/20 0.46
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 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
SCHEMBL4983021 0.88 SIGMAR1 (0.50) ABCB1ABCC1MAPTL3MBTL1ALDH1A1
SCHEMBL4983752 0.86 HTT (0.52) SMN1; SMN2ABCB1ABCC1HPGDHSD17B10
SCHEMBL4986049 0.85 POLB (0.45) SMN1; SMN2MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL4989360 0.85 NPC1 (0.46) L3MBTL1ALDH1A1GAAKMT2ARAB9A
SCHEMBL4988726 0.85 P2RX3 (0.46) ABCB1ABCC1MAPTHSD17B10ALDH1A1
SCHEMBL4989547 0.83 HPGD (0.49) HPGDL3MBTL1ALDH1A1GAAKMT2A
SCHEMBL4988613 0.80 CGAS (0.40) SMN1; SMN2HPGDHSD17B10ALDH1A1KMT2A
SCHEMBL4984698 0.79 F12 (0.42) RAB9ANPC1
SCHEMBL4985337 0.78 DHFR (0.52) SMN1; SMN2ABCB1ABCC1SIGMAR1
SCHEMBL14272275 0.78 TSHR (0.52) SMN1; SMN2ABCB1ABCC1MAPTHPGD

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 SMN1; SMN2 4369/4885ABCB1 141/4885ABCC1 1268/4885

“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.