SCHEMBL1590468

SCHEMBL1590468

Cc1cccc(CC(=O)Nc2cccc3c(=O)n(C(O)C4CCCCC4)ccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.48
P2RX7 Q99572 10/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
BCHE P06276 1/20 0.39
LMNA P02545 1/20 0.39
KCNJ6 P48051 1/20 0.39
KCNJ3 P48549 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 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
SCHEMBL1590341 0.94 P2RX7 (0.46) KCNQ2P2RX7NPC1ALDH1A1
SCHEMBL1590386 0.91 P2RX7 (0.42) KCNQ2P2RX7NPC1LMNA
SCHEMBL1589957 0.91 P2RX7 (0.47) P2RX7NPC1ALDH1A1
SCHEMBL1590869 0.88 PARP14 (0.44) P2RX7ALDH1A1
SCHEMBL1591015 0.87 P2RX7 (0.43) P2RX7ALDH1A1LMNA
SCHEMBL1590360 0.86 GAA (0.49) P2RX7NPC1ALDH1A1LMNA
SCHEMBL1590208 0.86 POLB (0.46) KCNQ2P2RX7ALDH1A1
SCHEMBL1590600 0.85 P2RX7 (0.44) P2RX7ALDH1A1LMNA
SCHEMBL1591310 0.85 EPHX2 (0.48) KCNQ2P2RX7NPC1ALDH1A1LMNA
SCHEMBL1591252 0.84 PARP14 (0.47) P2RX7NPC1ALDH1A1

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 3 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

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 KCNQ2 519/4885P2RX7 1/4885NPC1 2233/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KCNQ2 519/4885P2RX7 1/4885NPC1 2233/4885

“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.