SCHEMBL4986952

SCHEMBL4986952

COc1cc(OC)cc(C(=O)N2CCc3[c]nc(C(N)=O)nc3C2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
GRM5 P41594 2/20 0.39
TP53 P04637 1/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PDGFRB P09619 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL4985375 0.90 GRM5 (0.51) ALDH1A1GRM5CA1CA2CA7
SCHEMBL4989543 0.89 HPGD (0.45) ALDH1A1GAAGRM5CA1CA2
SCHEMBL4989388 0.85 MAPK1 (0.55) ALDH1A1KDM4EGAATP53MAPT
SCHEMBL4988856 0.84 GRM5 (0.39) GAAGRM5F2MAPT
SCHEMBL4980914 0.83 HSP90AB1 (0.49) ALDH1A1KDM4EGAATSHRMAPT
SCHEMBL4992436 0.83 MAPK1 (0.47) ALDH1A1KDM4EGRM5MAPTKMT2A
SCHEMBL4990813 0.81 PKM (0.42) ALDH1A1KDM4EGRM5MAPTKMT2A
SCHEMBL4985620 0.81 PTGS1 (0.43) TSHRGRM5
SCHEMBL4988575 0.81 NPC1 (0.46) ALDH1A1GAATSHRGRM5MAPT
SCHEMBL4982516 0.80 DHFR (0.45) TP53KMT2A

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 2 patents. 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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 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 ALDH1A1 3640/4885KDM4E 4128/4885GAA 4179/4885

“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.