SCHEMBL13046705

SCHEMBL13046705

COCCn1ccc2c(NC(=O)c3ccc(Cl)c(C)c3)cccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.52
TP53 P04637 2/20 0.49
P2RX7 Q99572 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
GRM2 Q14416 3/20 0.43
RAB9A P51151 1/20 0.43
CNR2 P34972 1/20 0.42
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13047234 0.92 RXFP1 (0.52) RXFP1TP53P2RX7MAPTKMT2A
SCHEMBL13047261 0.88 RXFP1 (0.54) RXFP1TP53TAS1R3TAS1R1MAPT
SCHEMBL13047251 0.88 TP53 (0.56) RXFP1TP53P2RX7MAPTKMT2A
SCHEMBL13046696 0.87 KMT2A (0.52) RXFP1TP53MAPTKMT2AMEN1
SCHEMBL13047232 0.86 RXFP1 (0.53) RXFP1TP53TAS1R3TAS1R1TAS1R2
SCHEMBL13047509 0.86 RXFP1 (0.55) RXFP1TP53MAPTKMT2AMEN1
SCHEMBL13046666 0.85 TAS1R3 (0.46) TP53P2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL1590272 0.84 TAS1R3 (0.45) TP53P2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL13047559 0.84 RXFP1 (0.52) RXFP1TP53P2RX7MAPTPOLB
SCHEMBL1591338 0.84 TAS1R3 (0.45) TP53P2RX7TAS1R3TAS1R1TAS1R2

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 RXFP1 1036/4885TP53 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.