SCHEMBL9605315

SCHEMBL9605315

O=P(O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.84
P2RX2 Q9UBL9 3/20 0.84
P2RX4 Q99571 1/20 0.76
DNPH1 O43598 2/20 0.74
NT5E P21589 4/20 0.73
P2RY12 Q9H244 2/20 0.73
P2RY2 P41231 1/20 0.73
P2RY1 P47900 1/20 0.73
P2RY6 Q15077 1/20 0.73
ADORA3 P0DMS8 3/20 0.70
ADORA2A P29274 3/20 0.70
ADORA1 P30542 3/20 0.70
NFKB1 P19838 1/20 0.70
THPO P40225 1/20 0.70
TSHR P16473 1/20 0.70
GPR17 Q13304 1/20 0.65
DNMT1 P26358 1/20 0.60
DNMT3B Q9UBC3 1/20 0.60

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
SCHEMBL13033868 1.00 P2RX3 (0.84) P2RX3P2RX2P2RX4DNPH1NT5E
SCHEMBL9607775 1.00 P2RX3 (0.84) P2RX3P2RX2P2RX4DNPH1NT5E
SCHEMBL21058279 0.95 P2RX3 (0.76) P2RX3P2RX2P2RX4DNPH1NT5E
SCHEMBL9607782 0.92 P2RX3 (0.98) P2RX3P2RX2P2RX4DNPH1NT5E
SCHEMBL30076630 0.92 P2RX3 (0.98) P2RX3P2RX2P2RX4DNPH1NT5E
SCHEMBL29941330 0.92 P2RX3 (0.98) P2RX3P2RX2P2RX4DNPH1NT5E
SCHEMBL4319955 0.92 P2RX3 (0.98) P2RX3P2RX2P2RX4DNPH1NT5E
SCHEMBL13033867 0.92 P2RX3 (0.98) P2RX3P2RX2P2RX4DNPH1NT5E
SCHEMBL14178287 0.91 P2RX3 (1.00) P2RX3P2RX2P2RX4DNPH1NT5E
SCHEMBL15794372 0.91 P2RX3 (1.00) P2RX3P2RX2P2RX4DNPH1NT5E

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-20120135092-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2012-05-31 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 (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-20120135092-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS RECQL, WRN, ADAR P2RX3 757/4885P2RX2 763/4885P2RX4 1055/4885

“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.