SCHEMBL5547499

SCHEMBL5547499

CN(CCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
EGLN1 Q9GZT9 3/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM5A P29375 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
GSK3B P49841 1/20 0.35
USP2 O75604 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL15163542 0.87 TDP1 (0.48) TDP1KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL6061253 0.86 TDP1 (0.34) TDP1EGLN1KDM4EALDH1A1HSD17B10
SCHEMBL15163541 0.86 TDP1 (0.48) TDP1KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL5538646 0.85 TDP1 (0.47) TDP1KDM4EHSD17B10MEN1KMT2A
SCHEMBL5546031 0.84 TDP1 (0.52) TDP1KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL14511037 0.83 TDP1 (0.46) TDP1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL5538947 0.83 TDP1 (0.46) TDP1KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL5546471 0.83 TDP1 (0.48) TDP1KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL5547505 0.83 TDP1 (0.40) TDP1KDM4EMEN1KMT2AKDM5A
SCHEMBL6061942 0.83 TDP1 (0.46) TDP1KDM4EALDH1A1HSD17B10MEN1

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
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
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 801/4885EGLN1 3142/4885KDM4E 1268/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 TDP1 575/4885EGLN1 3238/4885KDM4E 1255/4885

“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.