SCHEMBL13047069

SCHEMBL13047069

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HPGD P15428 2/20 0.46
CREBBP Q92793 1/20 0.46
GRM2 Q14416 2/20 0.45
SHMT2 P34897 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL13047404 0.89 GRM2 (0.45) ALDH1A1SMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL15290185 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL13047048 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL13047124 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL13046660 0.83 PDE4D (0.50) ALDH1A1SMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL13047462 0.83 MEN1 (0.47) ALDH1A1SMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL1591117 0.82 GRM2 (0.44) ALDH1A1SMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL13047447 0.80 POLB (0.45) ALDH1A1SMN1; SMN2LMNAKDM4EKMT2A
SCHEMBL13047071 0.80 POLB (0.61) ALDH1A1KDM4EHPGDGRM2
SCHEMBL1590792 0.79 SHMT2 (0.49) ALDH1A1SMN1; SMN2LMNAKDM4EMAPK1

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 3640/4885SMN1; SMN2 4369/4885LMNA 1911/4885

“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.