SCHEMBL13047366

SCHEMBL13047366

COCCn1ccc2c(NC(=O)Cc3ccc(Cl)c(Cl)c3)cccc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.63
TP53 P04637 1/20 0.53
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CLK1 P49759 1/20 0.52
TRPV1 Q8NER1 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
PARP14 Q460N5 1/20 0.46
KCNQ2 O43526 1/20 0.45
GRM2 Q14416 1/20 0.44
GAA P10253 1/20 0.44
MCOLN3 Q8TDD5 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
SCHEMBL13046598 0.91 P2RX7 (0.61) P2RX7TP53MAPTKDM4ECLK1
SCHEMBL3747851 0.89 P2RX7 (0.81) P2RX7TP53MAPTTRPV1RXFP1
SCHEMBL1590053 0.88 P2RX7 (0.79) P2RX7MAPTKDM4ECLK1TRPV1
SCHEMBL1590895 0.87 P2RX7 (0.64) P2RX7MAPTKDM4ECLK1TRPV1
SCHEMBL13047349 0.86 P2RX7 (0.63) P2RX7MAPTKDM4ECLK1TRPV1
SCHEMBL13047207 0.86 TP53 (0.55) P2RX7TP53MAPTKDM4ERXFP1
SCHEMBL13047208 0.86 TP53 (0.55) P2RX7TP53MAPTKDM4ERXFP1
SCHEMBL13047220 0.86 TP53 (0.56) P2RX7TP53MAPTKDM4ERXFP1
SCHEMBL13048236 0.86 P2RX7 (0.62) P2RX7MAPTKDM4ECLK1TRPV1
SCHEMBL13047557 0.85 POLB (0.61) P2RX7TP53KDM4ERXFP1POLB

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 P2RX7 1/4885TP53 4589/4885MAPT 4477/4885

“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.