SCHEMBL5269634

SCHEMBL5269634

CC(CO)n1ccc2c(NC(=O)CCc3ccc4c(c3)OCO4)cccc2c1=O.CCOc1cccc(C(=O)Nc2cccc3c(=O)n(C(C)CO)ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PTPN7 P35236 1/20 0.43
NR5A1 Q13285 1/20 0.43
TSHR P16473 2/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 3/20 0.42
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 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
SCHEMBL1591286 0.88 P2RX7 (0.56) P2RX7NPC1RAB9AMAPTKDM4E
SCHEMBL1590777 0.84 P2RX7 (0.52) P2RX7NPC1RAB9AMAPTHPGD
SCHEMBL1590203 0.81 P2RX7 (0.65) P2RX7NPC1RAB9AMAPTKDM4E
SCHEMBL1590904 0.77 P2RX7 (0.56) P2RX7RAB9AHPGD
SCHEMBL1590703 0.76 P2RX7 (0.53) P2RX7NPC1RAB9AMAPTHPGD
SCHEMBL1590440 0.76 P2RX7 (0.51) P2RX7NPC1RAB9AMAPTKDM4E
SCHEMBL1590357 0.75 P2RX7 (0.58) P2RX7RAB9AMAPTKDM4ETP53
SCHEMBL1591168 0.74 KDM4E (0.50) NPC1RAB9AMAPTKDM4EHPGD
SCHEMBL13046702 0.74 TP53 (0.49) MAPTKDM4EHPGDNPSR1HSD17B10
SCHEMBL1591459 0.73 HCAR2 (0.49) NPC1RAB9AMAPTKDM4EHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 1/4885NPC1 2233/4885RAB9A 3422/4885

“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.