SCHEMBL1590915

SCHEMBL1590915

CC(CO)n1ccc2c(NC(=O)c3cc4ccccc4o3)cccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.52
RAB9A P51151 9/20 0.51
NPC1 O15118 9/20 0.51
TP53 P04637 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 2/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC2 Q92769 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL1590210 0.83 RAB9A (0.51) RAB9ANPC1TP53SMN1; SMN2L3MBTL1
SCHEMBL13047174 0.83 NPC1 (0.58) RAB9ANPC1TP53SMN1; SMN2L3MBTL1
SCHEMBL1590950 0.82 P2RX7 (0.56) P2RX7RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13047100 0.80 RAB9A (0.52) RAB9ANPC1TP53SMN1; SMN2L3MBTL1
SCHEMBL1590917 0.79 RAB9A (0.51) RAB9ANPC1TP53SMN1; SMN2L3MBTL1
SCHEMBL13047222 0.79 RAB9A (0.53) RAB9ANPC1TP53SMN1; SMN2L3MBTL1
SCHEMBL13046870 0.78 RAB9A (0.50) RAB9ANPC1TP53SMN1; SMN2L3MBTL1
SCHEMBL1591069 0.77 P2RX7 (0.56) P2RX7RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1590244 0.77 P2RX7 (0.58) P2RX7RAB9ANPC1L3MBTL1TSHR
SCHEMBL14479864 0.76 NPC1 (0.70) RAB9ANPC1TP53SMN1; SMN2L3MBTL1

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 8 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-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 P2RX7 1/4885RAB9A 3422/4885NPC1 2233/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885RAB9A 3422/4885NPC1 2233/4885

“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.