SCHEMBL1590181

SCHEMBL1590181

COC(=O)N(CCn1ccc2c([N+](=O)[O-])cccc2c1=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
PARP1 P09874 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
GRM2 Q14416 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR5A1 Q13285 1/20 0.36
ELANE P08246 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1590183 0.82 GAA (0.49) GAATP53LMNATDP1PARP1
SCHEMBL12702881 0.81 GAA (0.47) GAATP53LMNATDP1PARP1
SCHEMBL3743639 0.80 GAA (0.62) GAALMNATDP1PARP1POLB
SCHEMBL1590062 0.78 GAA (0.54) GAATP53LMNATDP1PARP1
SCHEMBL3748517 0.77 GAA (0.62) GAATP53LMNATDP1MAPT
SCHEMBL1589919 0.77 GAA (0.58) GAATP53LMNATDP1PARP1
SCHEMBL1590259 0.76 GAA (0.56) GAATP53LMNATDP1PARP1
SCHEMBL1590033 0.76 GAA (0.62) GAATP53LMNATDP1PARP1
SCHEMBL12702854 0.76 GAA (0.67) GAATDP1ALDH1A1GRM2
SCHEMBL21924453 0.73 ELANE (0.45) GAAMAPTALDH1A1KDM4EL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
EP-1933622-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-06-25 EP disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO 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 GAA 4179/4885TP53 4589/4885LMNA 1911/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 GAA 4179/4885TP53 4589/4885LMNA 1911/4885

“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.