SCHEMBL13047261

SCHEMBL13047261

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.54
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.49
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
GRM2 Q14416 2/20 0.44
POLB P06746 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
ROCK2 O75116 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE4D Q08499 1/20 0.43
PKM P14618 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
SCHEMBL13046906 0.90 ROCK2 (0.48) RXFP1TP53RAB9AMAPTMEN1
SCHEMBL13046696 0.89 KMT2A (0.52) RXFP1TP53RAB9AMAPTMEN1
SCHEMBL13046705 0.88 RXFP1 (0.52) RXFP1TP53RAB9AMAPTMEN1
SCHEMBL13047251 0.88 TP53 (0.56) RXFP1TP53RAB9AMAPTMEN1
SCHEMBL13047232 0.88 RXFP1 (0.53) RXFP1TP53RAB9AMAPTALDH1A1
SCHEMBL13047462 0.87 MEN1 (0.47) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13047496 0.87 TP53 (0.49) TP53RAB9AMAPTMEN1KMT2A
SCHEMBL1590594 0.87 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL1590795 0.87 MEN1 (0.44) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13047041 0.86 ALDH1A1 (0.51) RXFP1MAPTALDH1A1KDM4EHPGD

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 4589/4885RAB9A 3422/4885

“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.