SCHEMBL1591587

SCHEMBL1591587

CC(C)(O)Cn1ccc2c(NC(=O)CCc3ccc4c(c3)OCO4)cccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PTPN7 P35236 1/20 0.46
NR5A1 Q13285 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
P2RX7 Q99572 1/20 0.42

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
SCHEMBL13046665 0.94 KDM4E (0.49) KDM4EHPGDLMNATP53MAPT
SCHEMBL1590889 0.91 KDM4E (0.50) KDM4EHPGDLMNATP53MAPT
SCHEMBL1591168 0.86 KDM4E (0.50) KDM4EHPGDLMNATP53MAPT
SCHEMBL13046631 0.85 KDM4E (0.46) KDM4EHPGDLMNATP53MAPT
SCHEMBL13046702 0.85 TP53 (0.49) KDM4EHPGDLMNATP53MAPT
SCHEMBL13047105 0.85 KDM4E (0.51) KDM4EHPGDLMNATP53MAPT
SCHEMBL13046650 0.83 EPHX2 (0.46) KDM4EHPGDLMNATP53MAPT
SCHEMBL1591456 0.82 KDM4E (0.46) KDM4EHPGDLMNATP53MAPT
SCHEMBL13046614 0.82 KDM4E (0.44) KDM4EHPGDLMNATP53MAPT
SCHEMBL13047896 0.82 SMN1; SMN2 (0.45) KDM4EHPGDLMNATP53MAPT

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.