SCHEMBL1589957

SCHEMBL1589957

Cc1ccc(CC(=O)Nc2cccc3c(=O)n(C(O)C4CCCCC4)ccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.47
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PARP14 Q460N5 1/20 0.41

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 0.92 P2RX7 (0.46) P2RX7KDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL1590468 0.91 KCNQ2 (0.48) P2RX7ALDH1A1NPC1
SCHEMBL1591310 0.90 EPHX2 (0.48) P2RX7KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL1591425 0.88 LMNA (0.46) P2RX7HPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL1590869 0.88 PARP14 (0.44) P2RX7KDM4EHPGDALDH1A1PARP14
SCHEMBL1591015 0.87 P2RX7 (0.43) P2RX7KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL1590600 0.87 P2RX7 (0.44) P2RX7KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL1590360 0.86 GAA (0.49) P2RX7SMN1; SMN2ALDH1A1NPSR1RAB9A
SCHEMBL1590208 0.85 POLB (0.46) P2RX7KDM4EALDH1A1
SCHEMBL1591252 0.84 PARP14 (0.47) P2RX7KDM4EHPGDALDH1A1RAB9A

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 P2RX7 1/4885KDM4E 4128/4885CYP3A4 1221/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KDM4E 4128/4885CYP3A4 1221/4885

“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.