SCHEMBL1590750

SCHEMBL1590750

Cc1ccccc1C(=O)Nc1cccc2c(=O)n(CC(C)(C)O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
ALDH1A1 P00352 2/20 0.43
CNR2 P34972 1/20 0.42
CCR8 P51685 8/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TP53 P04637 1/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GRM2 Q14416 1/20 0.40

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
SCHEMBL13047446 0.92 PARP1 (0.54) PARP1ALDH1A1CNR2CCR8L3MBTL1
SCHEMBL1590821 0.89 MAPT (0.46) ALDH1A1CNR2TP53RXFP1LMNA
SCHEMBL1590374 0.89 KMT2A (0.47) PARP1ALDH1A1L3MBTL1TP53RXFP1
SCHEMBL1590922 0.89 POLB (0.44) PARP1ALDH1A1CNR2L3MBTL1TP53
SCHEMBL1591704 0.88 HPGD (0.53) ALDH1A1CNR2L3MBTL1RXFP1LMNA
SCHEMBL1590825 0.87 SMN1; SMN2 (0.44) PARP1ALDH1A1TP53LMNAPOLB
SCHEMBL1591640 0.86 HTT (0.43) PARP1ALDH1A1RXFP1LMNAPOLB
SCHEMBL1591117 0.85 GRM2 (0.44) ALDH1A1TP53LMNAPOLBGRM2
SCHEMBL1590626 0.84 P2RX7 (0.44) ALDH1A1LMNAPOLBGRM2
SCHEMBL13047197 0.83 TP53 (0.56) PARP1ALDH1A1CNR2CCR8TP53

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 10 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-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 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 PARP1 1754/4885ALDH1A1 3640/4885CNR2 42/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PARP1 1754/4885ALDH1A1 3640/4885CNR2 42/4885

“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.