SCHEMBL1590724

SCHEMBL1590724

O=C(Nc1cccc2c(=O)n(CC3(O)CCCCC3)ccc12)c1ccc(-c2ccccc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 5/20 0.42
LMNA P02545 3/20 0.42
S1PR4 O95977 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 2/20 0.37
SRPK1 Q96SB4 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.36

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
SCHEMBL1590571 0.84 NPC1 (0.41) NPSR1HPGDSMN1; SMN2MAPTLMNA
SCHEMBL1590416 0.82 NPC1 (0.48) NPSR1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL13046689 0.81 TP53 (0.52) NPSR1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL1590384 0.80 S1PR4 (0.46) NPSR1HPGDSMN1; SMN2GAAMAPT
SCHEMBL1590866 0.80 S1PR4 (0.46) NPSR1HPGDSMN1; SMN2GAAMAPT
SCHEMBL13046636 0.79 HPGD (0.47) NPSR1HPGDSMN1; SMN2GAAMAPT
SCHEMBL13046621 0.79 S1PR4 (0.45) NPSR1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL13046603 0.79 NPSR1 (0.43) NPSR1HPGDSMN1; SMN2GAAMAPT
SCHEMBL13047750 0.78 NPSR1 (0.45) NPSR1HPGDSMN1; SMN2GAAMAPT
SCHEMBL1590336 0.78 L3MBTL1 (0.49) NPSR1HPGDSMN1; SMN2MAPTKDM4E

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 NPSR1 326/4885HPGD 368/4885SMN1; SMN2 4369/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 NPSR1 326/4885HPGD 368/4885SMN1; SMN2 4369/4885

“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.