SCHEMBL4989388

SCHEMBL4989388

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
LMNA P02545 4/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL4992436 0.93 MAPK1 (0.47) MAPK1ALDH1A1POLBCYP2C19PDE4B
SCHEMBL4989543 0.88 HPGD (0.45) ALDH1A1POLBPDE4BPDE4DNPC1
SCHEMBL4985375 0.86 GRM5 (0.51) ALDH1A1PDE4BCA1CA2CA7
SCHEMBL4986952 0.85 ALDH1A1 (0.43) ALDH1A1MAPTKMT2ATP53CA1
SCHEMBL4990813 0.84 PKM (0.42) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL4988101 0.84 HTT (0.46) ALDH1A1POLBCYP2C19PDE4BMAPT
SCHEMBL4988575 0.83 NPC1 (0.46) ALDH1A1POLBLMNAMAPTNPC1
SCHEMBL4986032 0.83 HPGD (0.45) KMT2AHPGD
SCHEMBL4984810 0.83 KMT2A (0.43) MEN1KMT2A
SCHEMBL4983744 0.83 HTT (0.49) ALDH1A1LMNANPC1MEN1KMT2A

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 MAPK1 546/4885ALDH1A1 3640/4885POLB 3676/4885

“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.