SCHEMBL5546471

SCHEMBL5546471

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 6/20 0.47
POLB P06746 1/20 0.47
KDM5A P29375 2/20 0.43
GSK3B P49841 1/20 0.40
USP2 O75604 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
PKM P14618 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDR P35968 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
TLK2 Q86UE8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL15163541 0.92 TDP1 (0.48) TDP1KDM4EPOLBKDM5AGSK3B
SCHEMBL15163542 0.91 TDP1 (0.48) TDP1KDM4EPOLBKDM5AGSK3B
SCHEMBL5538646 0.89 TDP1 (0.47) TDP1KDM4EKDM5AGSK3BUSP2
SCHEMBL5546031 0.88 TDP1 (0.52) TDP1KDM4EKDM5AGSK3BUSP2
SCHEMBL5543145 0.87 TDP1 (0.47) TDP1KDM4EKDM5AGSK3BUSP2
SCHEMBL5538947 0.87 TDP1 (0.46) TDP1KDM4EPOLBKDM5AGSK3B
SCHEMBL14511037 0.87 TDP1 (0.46) TDP1KDM4EKDM5AGSK3BUSP2
SCHEMBL4760071 0.87 TDP1 (0.46) TDP1KDM4EKDM5AGSK3BUSP2
SCHEMBL6061942 0.87 TDP1 (0.46) TDP1KDM4EPOLBKDM5AGSK3B
SCHEMBL16008690 0.86 TDP1 (0.47) TDP1KDM4EKDM5AGSK3BUSP2

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 801/4885KDM4E 1268/4885POLB 113/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 TDP1 575/4885KDM4E 1255/4885POLB 115/4885

“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.