SCHEMBL3580750

SCHEMBL3580750

COc1ncc(I)c(=O)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.34
▸ HCAR2 Q8TDS4 3/20 0.33
▸ DPYD Q12882 1/20 0.33
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.31
▸ TYMP P19971 1/20 0.31

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
SCHEMBL26669557 0.78 RECQL (0.54) RECQLHCAR2GRIN2DGRIN3BGRIN1
SCHEMBL3971478 0.78 ALDH1A1 (0.46) RECQLHCAR2GRIN2DGRIN3BGRIN1
SCHEMBL12143815 0.76 DAO (0.41) RECQLHCAR2GRIN2DGRIN3BGRIN1
SCHEMBL28071084 0.74 — —
SCHEMBL2640736 0.73 RECQL (0.33) RECQLHCAR2GRIN2DGRIN3BGRIN1
SCHEMBL18770028 0.68 — —
SCHEMBL16466339 0.68 KDM6B (0.56) DPYDLMNAPOLBHTTL3MBTL1
SCHEMBL7708458 0.67 RECQL (0.51) RECQLKDM4ELMNAPOLBHTT
SCHEMBL25646153 0.67 — —
SCHEMBL13187575 0.66 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466163-B2 Furo[2,3-d]pyrimidines and related compounds and methods for treating disease states by inhibiting tubulin polymerization BIONOMICS LIMITED (AU) 2013-06-18 — — US disclosed
US-20100048591-A1 CHEMICAL COMPOUNDS AND PROCESSES BIONOMICS LIMITED (AU) 2010-02-25 — — US disclosed
WO-2008070908-A1 CHEMICAL COMPOUNDS AND PROCESSES BIONOMICS LIMITED (AU) 2008-06-19 — — WO disclosed
WO-2008070908-A1 CHEMICAL COMPOUNDS AND PROCESSES BIONOMICS LIMITED (AU) 2008-06-19 — — WO 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-20100048591-A1 CHEMICAL COMPOUNDS AND PROCESSES LTC4S, HNMT, SQLE RECQL 3027/4885HCAR2 899/4885DPYD 76/4885

“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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