SCHEMBL13047249

SCHEMBL13047249

COCCn1ccc2c(NC(=O)Cc3ccc(OC)cc3OC)cccc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
RAB9A P51151 1/20 0.52
RXFP1 Q9HBX9 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.49
GRM2 Q14416 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
CSF1R P07333 1/20 0.46
PDGFRB P09619 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
SCHEMBL13047206 0.93 TP53 (0.54) TP53RAB9ARXFP1MEN1KMT2A
SCHEMBL13046599 0.89 KDM4E (0.48) RAB9AHTTLMNASMN1; SMN2KDM4E
SCHEMBL13047552 0.88 TP53 (0.63) TP53RAB9ARXFP1HTTLMNA
SCHEMBL13047124 0.87 ALDH1A1 (0.50) KMT2AHTTLMNASMN1; SMN2KDM4E
SCHEMBL13047557 0.87 POLB (0.61) TP53RAB9ARXFP1KDM4EGRM2
SCHEMBL13047211 0.86 GRM2 (0.59) TP53RAB9ARXFP1SMN1; SMN2KDM4E
SCHEMBL1590696 0.86 LMNA (0.52) TP53KMT2AHTTLMNASMN1; SMN2
SCHEMBL13047012 0.86 L3MBTL1 (0.55) RAB9ARXFP1HTTLMNASMN1; SMN2
SCHEMBL13047231 0.85 TP53 (0.55) TP53RAB9ARXFP1HTTLMNA
SCHEMBL13047207 0.84 TP53 (0.55) TP53RAB9ARXFP1HTTLMNA

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 TP53 4589/4885RAB9A 3422/4885RXFP1 1036/4885

“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.