SCHEMBL1590889

SCHEMBL1590889

CC(C)(O)Cn1ccc2c(NC(=O)Cc3ccc4c(c3)OCO4)cccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
P2RX7 Q99572 3/20 0.49
PARP14 Q460N5 1/20 0.49
MAPT P10636 3/20 0.47
PTPN7 P35236 1/20 0.47
NR5A1 Q13285 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 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
SCHEMBL13047105 0.94 KDM4E (0.51) KDM4EHPGDLMNATP53P2RX7
SCHEMBL1591587 0.91 KDM4E (0.49) KDM4EHPGDLMNATP53P2RX7
SCHEMBL1590991 0.85 KDM4E (0.51) KDM4EHPGDLMNATP53P2RX7
SCHEMBL13047173 0.85 PARP14 (0.54) KDM4EHPGDLMNATP53P2RX7
SCHEMBL13047230 0.85 P2RX7 (0.51) KDM4EHPGDLMNATP53P2RX7
SCHEMBL13046665 0.85 KDM4E (0.49) KDM4EHPGDLMNATP53P2RX7
SCHEMBL13046871 0.85 P2RX7 (0.51) KDM4EHPGDLMNATP53P2RX7
SCHEMBL14407695 0.84 P2RX7 (0.53) KDM4EHPGDP2RX7ALDH1A1POLB
SCHEMBL1590473 0.83 P2RX7 (0.52) KDM4EHPGDTP53P2RX7ALDH1A1
SCHEMBL1591191 0.83 P2RX7 (0.51) KDM4EHPGDLMNATP53P2RX7

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 KDM4E 4128/4885HPGD 368/4885LMNA 1911/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KDM4E 4128/4885HPGD 368/4885LMNA 1911/4885

“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.