SCHEMBL1591252

SCHEMBL1591252

O=C(Cc1ccc2c(c1)OCO2)Nc1cccc2c(=O)n(C(O)C3CCCCC3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.47
P2RX7 Q99572 3/20 0.45
KDM4E B2RXH2 3/20 0.44
POLB P06746 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SIGMAR1 Q99720 2/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 3/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL1591459 0.92 HCAR2 (0.49) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL1590468 0.84 KCNQ2 (0.48) P2RX7ALDH1A1NPC1
SCHEMBL1589957 0.84 P2RX7 (0.47) PARP14P2RX7KDM4EALDH1A1HPGD
SCHEMBL1590341 0.83 P2RX7 (0.46) P2RX7KDM4EPOLBALDH1A1HPGD
SCHEMBL1590360 0.83 GAA (0.49) PARP14P2RX7POLBALDH1A1MAPT
SCHEMBL1590203 0.82 P2RX7 (0.65) PARP14P2RX7KDM4EKMT2AALDH1A1
SCHEMBL1591310 0.82 EPHX2 (0.48) PARP14P2RX7KDM4EPOLBALDH1A1
SCHEMBL1591502 0.81 KMT2A (0.47) P2RX7KDM4EPOLBMEN1KMT2A
SCHEMBL1590208 0.81 POLB (0.46) P2RX7KDM4EPOLBMEN1KMT2A
SCHEMBL1590600 0.81 P2RX7 (0.44) P2RX7KDM4EPOLBMEN1KMT2A

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 2 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-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 PARP14 2099/4885P2RX7 1/4885KDM4E 4128/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PARP14 2099/4885P2RX7 1/4885KDM4E 4128/4885

“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.