SCHEMBL1590888

SCHEMBL1590888

Cc1cc(C)cc(CC(=O)Nc2cccc3c(=O)n(CC(C)O)ccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.48
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
GRM2 Q14416 2/20 0.40
GPR35 Q9HC97 1/20 0.40
KCNQ2 O43526 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RORA P35398 1/20 0.39
NR5A1 Q13285 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1590396 0.93 P2RX7 (0.49) P2RX7TP53POLBKDM4EALDH1A1
SCHEMBL1590987 0.92 P2RX7 (0.49) P2RX7TP53POLBLMNAKDM4E
SCHEMBL1591484 0.89 P2RX7 (0.43) P2RX7TP53POLBLMNAKDM4E
SCHEMBL1591621 0.87 POLB (0.50) P2RX7TP53POLBLMNAKDM4E
SCHEMBL1591178 0.86 PARP14 (0.48) P2RX7TP53POLBKDM4EALDH1A1
SCHEMBL1591421 0.85 TP53 (0.43) P2RX7TP53POLBKDM4EALDH1A1
SCHEMBL1591200 0.84 TP53 (0.54) P2RX7TP53POLBLMNAKDM4E
SCHEMBL1590322 0.84 ALDH1A1 (0.44) P2RX7POLBKDM4EALDH1A1HPGD
SCHEMBL13047120 0.84 P2RX7 (0.51) P2RX7TP53POLBLMNAKDM4E
SCHEMBL1590800 0.84 POLB (0.60) P2RX7TP53POLBLMNAKDM4E

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-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
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 P2RX7 1/4885TP53 4589/4885POLB 3676/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885TP53 4589/4885POLB 3676/4885

“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.