SCHEMBL13047124

SCHEMBL13047124

COc1ccc(CC(=O)Nc2cccc3c(=O)n(CC(C)(C)C)ccc23)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
MAPK1 P28482 1/20 0.49
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.44
CSF1R P07333 1/20 0.44
PDGFRB P09619 1/20 0.44
GRM2 Q14416 1/20 0.44

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
SCHEMBL15290185 0.93 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPK1HTT
SCHEMBL13047067 0.88 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDMAPK1HTT
SCHEMBL13047249 0.87 TP53 (0.54) ALDH1A1KDM4EHPGDMAPK1HTT
SCHEMBL13047071 0.87 POLB (0.61) ALDH1A1KDM4EHPGDGRM2
SCHEMBL13047083 0.86 GRM2 (0.53) ALDH1A1KDM4EHPGDMAPK1LMNA
SCHEMBL1590696 0.86 LMNA (0.52) ALDH1A1KDM4EHPGDMAPK1HTT
SCHEMBL1590792 0.86 SHMT2 (0.49) ALDH1A1KDM4EHPGDMAPK1HTT
SCHEMBL13047106 0.85 POLB (0.51) ALDH1A1KDM4EHPGDMAPK1HTT
SCHEMBL13046599 0.85 KDM4E (0.48) ALDH1A1KDM4EHPGDMAPK1HTT
SCHEMBL13047069 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDMAPK1LMNA

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 ALDH1A1 3640/4885KDM4E 4128/4885HPGD 368/4885

“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.