SCHEMBL5538527

SCHEMBL5538527

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCCN2CCCC2=O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 1/20 0.39
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR2 P34972 3/20 0.36
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL5547234 0.98 ALDH1A1 (0.38) HSD17B10KDM4EHPGDCYP2C19XIAP
SCHEMBL5547232 0.98 CNR2 (0.37) HSD17B10KDM4EHPGDCYP2C19XIAP
SCHEMBL5546734 0.95 XIAP (0.39) HSD17B10HPGDCYP2C19XIAPBIRC2
SCHEMBL5545562 0.94 CNR2 (0.39) HSD17B10HPGDXIAPBIRC2ALDH1A1
SCHEMBL5539930 0.92 CYP2C19 (0.46) HSD17B10KDM4EHPGDCYP2C19GAA
SCHEMBL5545305 0.91 ALDH1A1 (0.38) HSD17B10KDM4EHPGDCYP2C19XIAP
SCHEMBL5539125 0.91 CYP2C19 (0.45) HSD17B10KDM4EHPGDCYP2C19GAA
SCHEMBL5545332 0.91 CYP2C19 (0.42) HSD17B10KDM4EHPGDCYP2C19GAA
SCHEMBL5548077 0.90 ALDH1A1 (0.46) HSD17B10KDM4EHPGDCYP2C19GAA
SCHEMBL5540823 0.89 ALDH1A1 (0.38) HSD17B10KDM4EHPGDCYP2C19XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP claimed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US claimed
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 HSD17B10 2218/4885KDM4E 1268/4885HPGD 3518/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 HSD17B10 1401/4885KDM4E 1255/4885HPGD 2929/4885

“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.