SCHEMBL1590416

SCHEMBL1590416

O=C(Nc1cccc2c(=O)n(CC3(O)CCCCC3)ccc12)c1cc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
TP53 P04637 5/20 0.48
NPSR1 Q6W5P4 4/20 0.48
ALDH1A1 P00352 3/20 0.48
ATM Q13315 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 9/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HDAC2 Q92769 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL1590336 0.90 L3MBTL1 (0.49) NPC1SMN1; SMN2TP53NPSR1ALDH1A1
SCHEMBL1590669 0.83 GAA (0.45) NPC1SMN1; SMN2NPSR1ALDH1A1KDM4E
SCHEMBL1590724 0.82 NPSR1 (0.48) NPC1SMN1; SMN2TP53NPSR1ALDH1A1
SCHEMBL13047100 0.81 RAB9A (0.52) NPC1SMN1; SMN2TP53NPSR1ALDH1A1
SCHEMBL13047222 0.80 RAB9A (0.53) NPC1SMN1; SMN2TP53NPSR1ALDH1A1
SCHEMBL1590917 0.80 RAB9A (0.51) NPC1SMN1; SMN2TP53NPSR1ALDH1A1
SCHEMBL1590210 0.80 RAB9A (0.51) NPC1SMN1; SMN2TP53NPSR1ALDH1A1
SCHEMBL13046967 0.79 NPC1 (0.56) NPC1SMN1; SMN2TP53NPSR1ALDH1A1
SCHEMBL13046870 0.79 RAB9A (0.50) NPC1SMN1; SMN2TP53NPSR1ALDH1A1
SCHEMBL1591499 0.79 KMT2A (0.48) SMN1; SMN2ALDH1A1KDM4EHPGDMAPK1

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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
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 NPC1 2233/4885SMN1; SMN2 4369/4885TP53 4589/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 NPC1 2233/4885SMN1; SMN2 4369/4885TP53 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.