SCHEMBL5545703

SCHEMBL5545703

CCC(COC)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCCC2=O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.35
NAMPT P43490 1/20 0.35
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
KIT P10721 1/20 0.32

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
SCHEMBL5547285 0.92 CNR2 (0.39) CNR2ALDH1A1HSD17B10NAMPTXIAP
SCHEMBL5547031 0.90 CNR2 (0.39) CNR2ALDH1A1HSD17B10NAMPTXIAP
SCHEMBL16991720 0.89 CNR2 (0.38) CNR2ALDH1A1HSD17B10XIAPBIRC2
SCHEMBL5546524 0.89 CNR2 (0.38) CNR2ALDH1A1HSD17B10XIAPBIRC2
SCHEMBL5546847 0.88 CNR2 (0.37) CNR2ALDH1A1HSD17B10XIAPBIRC2
SCHEMBL16991728 0.88 CNR2 (0.38) CNR2ALDH1A1HSD17B10XIAPBIRC2
SCHEMBL5540782 0.88 ALDH1A1 (0.40) CNR2ALDH1A1HSD17B10NAMPTXIAP
SCHEMBL5546818 0.88 CNR2 (0.38) CNR2ALDH1A1HSD17B10XIAPBIRC2
SCHEMBL5546734 0.87 XIAP (0.39) CNR2ALDH1A1HSD17B10XIAPBIRC2
SCHEMBL5545326 0.86 CYP2C19 (0.40) ALDH1A1HSD17B10L3MBTL1HPGDSMN1; SMN2

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 CNR2 3954/4885ALDH1A1 3812/4885HSD17B10 2218/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885ALDH1A1 3073/4885HSD17B10 1401/4885

“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.