SCHEMBL5546863

SCHEMBL5546863

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MMP9 P14780 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CNR1 P21554 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
MAPK14 Q16539 1/20 0.34
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 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
SCHEMBL5548080 0.90 L3MBTL1 (0.40) CNR2L3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL5541094 0.89 L3MBTL1 (0.40) CNR2L3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL5545334 0.87 L3MBTL1 (0.42) CNR2L3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL5539051 0.85 CNR2 (0.42) CNR2L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL5547445 0.85 L3MBTL1 (0.44) CNR2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5545426 0.85 L3MBTL1 (0.42) CNR2L3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL5540595 0.84 L3MBTL1 (0.41) CNR2L3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL5540820 0.83 L3MBTL1 (0.41) CNR2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5545329 0.83 CNR2 (0.44) CNR2L3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL5545513 0.83 MEN1 (0.51) CNR2L3MBTL1ALDH1A1MEN1KMT2A

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 CNR2 3954/4885L3MBTL1 1411/4885ALDH1A1 3812/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885L3MBTL1 1408/4885ALDH1A1 3073/4885

“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.