SCHEMBL1591286

SCHEMBL1591286

CC(CO)n1ccc2c(NC(=O)CCc3ccc4c(c3)OCO4)cccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.56
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 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
HCAR2 Q8TDS4 1/20 0.46
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 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
SCHEMBL1590203 0.91 P2RX7 (0.65) P2RX7KDM4EMAPTHPGDHSD17B10
SCHEMBL5269634 0.88 P2RX7 (0.46) P2RX7KDM4EMAPTHPGDHSD17B10
SCHEMBL1591168 0.84 KDM4E (0.50) KDM4EMAPTHPGDHSD17B10PTPN7
SCHEMBL1591459 0.83 HCAR2 (0.49) KDM4EMAPTHPGDHCAR2KMT2A
SCHEMBL13046665 0.81 KDM4E (0.49) P2RX7KDM4EMAPTHPGDHSD17B10
SCHEMBL1590904 0.81 P2RX7 (0.56) P2RX7HPGDHCAR2POLBRAB9A
SCHEMBL1590357 0.81 P2RX7 (0.58) P2RX7KDM4EMAPTHCAR2KMT2A
SCHEMBL1591587 0.81 KDM4E (0.49) P2RX7KDM4EMAPTHPGDHSD17B10
SCHEMBL13046631 0.80 KDM4E (0.46) P2RX7KDM4EMAPTHPGDHSD17B10
SCHEMBL13046702 0.80 TP53 (0.49) KDM4EMAPTHPGDHSD17B10PTPN7

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 7 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-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 P2RX7 1/4885KDM4E 4128/4885MAPT 4477/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KDM4E 4128/4885MAPT 4477/4885

“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.