SCHEMBL5547232

SCHEMBL5547232

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCCN2CCCCCC2=O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
XIAP P98170 1/20 0.36
BIRC2 Q13490 1/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 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 0.99 ALDH1A1 (0.38) CNR2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL5538527 0.98 HSD17B10 (0.39) CNR2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL5545562 0.94 CNR2 (0.39) CNR2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL5546734 0.93 XIAP (0.39) CNR2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL5539125 0.92 CYP2C19 (0.45) ALDH1A1HSD17B10HPGDL3MBTL1KDM4E
SCHEMBL5539194 0.91 ALDH1A1 (0.38) CNR2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL5540737 0.91 ALDH1A1 (0.38) CNR2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL5547007 0.91 CYP2C19 (0.40) CNR2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL5545622 0.90 CNR2 (0.39) CNR2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL5538989 0.90 CNR2 (0.39) CNR2ALDH1A1HSD17B10HPGDL3MBTL1

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.