SCHEMBL4760071

SCHEMBL4760071

O=C(NCCP(=O)(O)O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
PKM P14618 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM5A P29375 2/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GSK3B P49841 1/20 0.37
USP2 O75604 1/20 0.37
KDM4E B2RXH2 4/20 0.36
MITF O75030 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5538646 0.90 TDP1 (0.47) TDP1MEN1KMT2APKMNPC1
SCHEMBL15163541 0.89 TDP1 (0.48) TDP1MEN1KMT2APKMNPC1
SCHEMBL4995843 0.89 TDP1 (0.45) TDP1MEN1KMT2APKMNPC1
SCHEMBL15163542 0.89 TDP1 (0.48) TDP1MEN1KMT2APKMNPC1
SCHEMBL6061942 0.89 TDP1 (0.46) TDP1MEN1KMT2APKMNPC1
SCHEMBL5546031 0.88 TDP1 (0.52) TDP1MEN1KMT2APKMNPC1
SCHEMBL14511037 0.87 TDP1 (0.46) TDP1MEN1KMT2APKMNPC1
SCHEMBL5546471 0.87 TDP1 (0.48) TDP1MEN1KMT2APKMNPC1
SCHEMBL5538947 0.87 TDP1 (0.46) TDP1MEN1KMT2APKMNPC1
SCHEMBL5548065 0.86 KDM5A (0.49) TDP1MEN1KMT2APKMKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910356-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP claimed
WO-2007019101-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO claimed
US-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 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-20080214503-A1 Hiv Integrase Inhibitors SAMHD1, ACIN1, API5 TDP1 288/4885MEN1 4822/4885KMT2A 1762/4885

“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.