SCHEMBL13047048

SCHEMBL13047048

COc1cc(OC)cc(C(=O)Nc2cccc3c(=O)n(CC(C)(C)C)ccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
FFAR4 Q5NUL3 1/20 0.47
GPR139 Q6DWJ6 1/20 0.47
KDM4E B2RXH2 3/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GRM2 Q14416 3/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 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
SCHEMBL13047107 0.88 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2KDM4ETSHR
SCHEMBL13047106 0.86 POLB (0.51) ALDH1A1LMNASMN1; SMN2KDM4ETSHR
SCHEMBL13046662 0.85 KMT2A (0.49) ALDH1A1LMNASMN1; SMN2TSHRHPGD
SCHEMBL13046660 0.85 PDE4D (0.50) ALDH1A1LMNASMN1; SMN2KDM4ETSHR
SCHEMBL1590579 0.84 SMN1; SMN2 (0.47) ALDH1A1LMNASMN1; SMN2FFAR4GPR139
SCHEMBL13047069 0.84 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2KDM4ETSHR
SCHEMBL13047404 0.84 GRM2 (0.45) ALDH1A1LMNASMN1; SMN2KDM4EGRM2
SCHEMBL13047462 0.84 MEN1 (0.47) ALDH1A1LMNASMN1; SMN2KDM4ETSHR
SCHEMBL13047059 0.83 NPC1 (0.49) ALDH1A1LMNAKDM4EHPGDKMT2A
SCHEMBL13047049 0.83 KMT2A (0.52) ALDH1A1LMNATSHRHSD17B10KMT2A

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

“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.