SCHEMBL13047896

SCHEMBL13047896

O=C(CCc1ccc2c(c1)OCO2)Nc1cccc2c(=O)n(Cc3ccc(OC(F)(F)F)cc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
P2RX7 Q99572 1/20 0.44
LMNA P02545 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 4/20 0.43
PTPN7 P35236 1/20 0.43
NR5A1 Q13285 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRM2 Q14416 1/20 0.42
EGFR P00533 1/20 0.41
CHRM5 P08912 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL13048072 0.92 P2RX7 (0.51) SMN1; SMN2P2RX7LMNAKDM4EHPGD
SCHEMBL13048164 0.86 P2RX7 (0.49) P2RX7LMNATP53MAPTNR5A1
SCHEMBL13048143 0.85 GRM2 (0.48) P2RX7LMNAKDM4ETP53MAPT
SCHEMBL13048111 0.85 P2RX7 (0.49) P2RX7LMNATP53MAPTNR5A1
SCHEMBL13047877 0.85 GRM2 (0.51) P2RX7LMNAKDM4ETP53MAPT
SCHEMBL13047982 0.84 GAA (0.52) P2RX7LMNAKDM4EHPGDTP53
SCHEMBL13047890 0.83 MAPT (0.50) SMN1; SMN2P2RX7LMNAKDM4EHPGD
SCHEMBL13046665 0.82 KDM4E (0.49) SMN1; SMN2P2RX7LMNAKDM4EHPGD
SCHEMBL13046724 0.82 KMT2A (0.54) LMNAKDM4EHPGDTP53MAPT
SCHEMBL13047874 0.82 P2RX7 (0.45) P2RX7LMNAKDM4EHPGDTP53

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 SMN1; SMN2 4369/4885P2RX7 1/4885LMNA 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.