SCHEMBL13046679

SCHEMBL13046679

CCOc1ccc(C(=O)Nc2cccc3c(=O)n(CCOC)ccc23)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47
RAB9A P51151 1/20 0.47
KLKB1 P03952 1/20 0.47
PLAU P00749 2/20 0.46
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PLAT P00750 1/20 0.46
POLB P06746 2/20 0.45
GRM2 Q14416 4/20 0.45
CNR2 P34972 1/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 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
SCHEMBL13047375 0.89 KLKB1 (0.46) TP53RAB9AKLKB1PLAUF2
SCHEMBL1590470 0.86 KLKB1 (0.46) TP53RXFP1RAB9AKLKB1PLAU
SCHEMBL1590989 0.86 KLKB1 (0.46) TP53RXFP1RAB9AKLKB1PLAU
SCHEMBL13047392 0.86 KDM4E (0.43) TP53KLKB1PLAUF2F10
SCHEMBL13046697 0.86 TP53 (0.52) TP53RXFP1RAB9APOLBGRM2
SCHEMBL13047511 0.85 TP53 (0.53) TP53RXFP1RAB9APOLBGRM2
SCHEMBL13046676 0.82 RXFP1 (0.52) TP53RXFP1RAB9APOLBGRM2
SCHEMBL13046706 0.82 LMNA (0.49) TP53KLKB1POLBMAPTLMNA
SCHEMBL13046602 0.82 CNR2 (0.42) TP53KLKB1PLAUF2F10
SCHEMBL13047212 0.81 TP53 (0.55) TP53RXFP1RAB9APOLBGRM2

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 4589/4885RXFP1 1036/4885RAB9A 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.