SCHEMBL13047079

SCHEMBL13047079

COc1ccc(CC(=O)Nc2cccc3c(=O)n(CC(C)(C)C)ccc23)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 4/20 0.50
GAA P10253 2/20 0.50
PARP14 Q460N5 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GFER P55789 1/20 0.50
RAB9A P51151 1/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL13047129 0.93 P2RX7 (0.50) P2RX7KDM4EALDH1A1HPGDLMNA
SCHEMBL13047071 0.87 POLB (0.61) P2RX7KDM4EALDH1A1HPGDGAA
SCHEMBL13047083 0.87 GRM2 (0.53) P2RX7KDM4EALDH1A1HPGDLMNA
SCHEMBL13047207 0.86 TP53 (0.55) P2RX7KDM4EALDH1A1HPGDLMNA
SCHEMBL13047106 0.86 POLB (0.51) P2RX7KDM4EALDH1A1HPGDLMNA
SCHEMBL15290185 0.86 ALDH1A1 (0.50) KDM4EALDH1A1HPGDLMNAMAPK1
SCHEMBL13047067 0.85 ALDH1A1 (0.58) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL13046865 0.85 P2RX7 (0.52) P2RX7KDM4EALDH1A1HPGDLMNA
SCHEMBL13047081 0.84 P2RX7 (0.52) P2RX7KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL13047091 0.84 P2RX7 (0.52) P2RX7KDM4EALDH1A1HPGDLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed

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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KDM4E 4128/4885ALDH1A1 3640/4885

“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.