SCHEMBL5538646

SCHEMBL5538646

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
PKM P14618 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40
KDM5A P29375 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GSK3B P49841 1/20 0.38
USP2 O75604 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MITF O75030 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ALOX15 P16050 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
SCHEMBL6061942 0.94 TDP1 (0.46) TDP1MEN1KMT2APKMNPC1
SCHEMBL15163541 0.91 TDP1 (0.48) TDP1MEN1KMT2APKMNPC1
SCHEMBL5547281 0.91 TDP1 (0.45) TDP1MEN1KMT2APKMNPC1
SCHEMBL4760071 0.90 TDP1 (0.46) TDP1MEN1KMT2APKMNPC1
SCHEMBL15163542 0.90 TDP1 (0.48) TDP1MEN1KMT2APKMNPC1
SCHEMBL5546031 0.89 TDP1 (0.52) TDP1MEN1KMT2APKMNPC1
SCHEMBL14511037 0.89 TDP1 (0.46) TDP1MEN1KMT2APKMNPC1
SCHEMBL5538947 0.89 TDP1 (0.46) TDP1MEN1KMT2APKMNPC1
SCHEMBL5546471 0.89 TDP1 (0.48) TDP1MEN1KMT2APKMNPC1
SCHEMBL5548065 0.88 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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 (2 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 TDP1 801/4885MEN1 4802/4885KMT2A 502/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 TDP1 575/4885MEN1 4837/4885KMT2A 819/4885

“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.