SCHEMBL13587332

SCHEMBL13587332

[3H]c1ccc(C#Cc2ccc(C#Cc3nc4c(=O)[nH]c(N)nc4n3C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 8/20 0.43
▸ NOS1 P29475 1/20 0.42
▸ DHFR P00374 5/20 0.41
▸ PNP P00491 3/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL13587324 0.99 XDH (0.43) XDHNOS1DHFRPNPMEN1
SCHEMBL13587313 0.90 XDH (0.52) XDHNOS1DHFRPNPMEN1
SCHEMBL13587330 0.82 IP6K1 (0.39) NOS1PNP
SCHEMBL13587320 0.81 IP6K1 (0.37) NOS1PNP
SCHEMBL13587331 0.79 NOS1 (0.32) NOS1MEN1KMT2A
SCHEMBL13587328 0.75 ADORA2A (0.58) —
SCHEMBL13587335 0.75 PNP (0.40) NOS1PNPMEN1KMT2A
SCHEMBL13587341 0.75 PNP (0.62) PNPMEN1KMT2A
SCHEMBL13587315 0.73 ADORA2A (0.59) —
SCHEMBL13587326 0.69 PNP (0.38) XDHDHFRPNP

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-20090299049-A1 Bicyclic Compounds and Their Use REPLIZYME LIMITED (GB) 2009-12-03 — — 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-20090299049-A1 Bicyclic Compounds and Their Use ERCC4, PARP1, ERCC5 XDH 1858/4885NOS1 1405/4885DHFR 103/4885

“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.

Send feedback