SCHEMBL13047211

SCHEMBL13047211

COCCn1ccc2c(NC(=O)Cc3ccc(OC)cc3)cccc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.59
TP53 P04637 2/20 0.55
P2RX7 Q99572 1/20 0.52
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
PARP14 Q460N5 1/20 0.48
KCNQ2 O43526 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL13047212 0.91 TP53 (0.55) GRM2TP53P2RX7RAB9AALDH1A1
SCHEMBL13047231 0.91 TP53 (0.55) GRM2TP53P2RX7RAB9AKDM4E
SCHEMBL1590296 0.91 P2RX7 (0.62) GRM2TP53P2RX7RAB9AKDM4E
SCHEMBL13047220 0.91 TP53 (0.56) GRM2TP53P2RX7RAB9AKDM4E
SCHEMBL13047201 0.90 GRM2 (0.59) GRM2TP53P2RX7RAB9AKDM4E
SCHEMBL13047557 0.90 POLB (0.61) GRM2TP53P2RX7RAB9AKDM4E
SCHEMBL13046553 0.88 GRM2 (0.57) GRM2TP53P2RX7RAB9AKDM4E
SCHEMBL13047207 0.87 TP53 (0.55) TP53P2RX7RAB9AKDM4EMAPK1
SCHEMBL13047249 0.86 TP53 (0.54) GRM2TP53RAB9AKDM4EMAPK1
SCHEMBL13047206 0.86 TP53 (0.54) GRM2TP53RAB9AKDM4EMAPK1

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 GRM2 332/4885TP53 4589/4885P2RX7 1/4885

“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.