SCHEMBL13587331

SCHEMBL13587331

[3H]c1ccc(C#Cc2ccc(C#Cc3nc4c(=O)[nH]c(=O)[nH]c4n3C)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.32
▸ BLM P54132 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL13587318 0.99 NOS1 (0.32) NOS1BLMTDP1KDM4EALDH1A1
SCHEMBL13587312 0.90 NOS1 (0.39) NOS1BLMTDP1KDM4EALDH1A1
SCHEMBL13587332 0.79 XDH (0.43) NOS1MEN1KMT2A
SCHEMBL13587324 0.77 XDH (0.43) NOS1MEN1KMT2A
SCHEMBL13587330 0.75 IP6K1 (0.39) NOS1KDM4EALDH1A1ADORA2AHSD17B10
SCHEMBL13587320 0.73 IP6K1 (0.37) NOS1KDM4EALDH1A1ADORA2AHSD17B10
SCHEMBL13587313 0.68 XDH (0.52) NOS1KDM4EADORA2ARAB9AMEN1
SCHEMBL13587319 0.68 GRM5 (0.31) ADORA2AADORA2B
SCHEMBL13587328 0.67 ADORA2A (0.58) ADORA2AADORA2B
SCHEMBL13587315 0.65 ADORA2A (0.59) ADORA2AADORA2B

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 NOS1 1405/4885BLM 186/4885TDP1 232/4885

“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.

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