SCHEMBL1590989

SCHEMBL1590989

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.46
PLAU P00749 2/20 0.45
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PLAT P00750 1/20 0.45
RORA P35398 1/20 0.43
NR5A1 Q13285 1/20 0.43
POLB P06746 3/20 0.41
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 3/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL13114965 0.91 NR5A1 (0.45) RORANR5A1POLBMAPTLMNA
SCHEMBL13046679 0.86 TP53 (0.49) KLKB1PLAUF2F10PLAT
SCHEMBL1590896 0.86 KMT2A (0.51) RORANR5A1POLBMAPTLMNA
SCHEMBL1590522 0.86 RAB9A (0.48) RORANR5A1POLBMAPTLMNA
SCHEMBL1590470 0.85 KLKB1 (0.46) KLKB1PLAUF2F10PLAT
SCHEMBL13047375 0.85 KLKB1 (0.46) KLKB1PLAUF2F10PLAT
SCHEMBL13047392 0.82 KDM4E (0.43) KLKB1PLAUF2F10PLAT
SCHEMBL1591175 0.81 LMNA (0.46) NR5A1POLBMAPTLMNATP53
SCHEMBL1590790 0.81 RORA (0.49) RORANR5A1POLBLMNATP53
SCHEMBL13046602 0.81 CNR2 (0.42) KLKB1PLAUF2F10PLAT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 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 (2 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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KLKB1 1801/4885PLAU 2155/4885F2 2920/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KLKB1 1801/4885PLAU 2155/4885F2 2920/4885

“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.