SCHEMBL1590917

SCHEMBL1590917

CC(C)(O)Cn1ccc2c(NC(=O)c3cc4ccccc4o3)cccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.51
NPC1 O15118 10/20 0.51
TP53 P04637 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
ATM Q13315 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
HDAC2 Q92769 1/20 0.46
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KMT2A Q03164 2/20 0.45
RECQL P46063 1/20 0.44

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
SCHEMBL13047100 0.93 RAB9A (0.52) RAB9ANPC1TP53SMN1; SMN2L3MBTL1
SCHEMBL1590210 0.85 RAB9A (0.51) RAB9ANPC1TP53SMN1; SMN2L3MBTL1
SCHEMBL13047222 0.85 RAB9A (0.53) RAB9ANPC1TP53SMN1; SMN2L3MBTL1
SCHEMBL13046870 0.84 RAB9A (0.50) RAB9ANPC1TP53SMN1; SMN2L3MBTL1
SCHEMBL13047174 0.83 NPC1 (0.58) RAB9ANPC1TP53SMN1; SMN2L3MBTL1
SCHEMBL1590821 0.82 MAPT (0.46) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL1590543 0.81 NPC1 (0.48) RAB9ANPC1NPSR1ALDH1A1MAPT
SCHEMBL1590384 0.81 S1PR4 (0.46) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL13046967 0.80 NPC1 (0.56) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL13047703 0.80 NPSR1 (0.53) 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 RAB9A 3422/4885NPC1 2233/4885TP53 4589/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 RAB9A 3422/4885NPC1 2233/4885TP53 4589/4885

“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.