SCHEMBL5547369

SCHEMBL5547369

CC(O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(-c2ccc(F)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EGLN1 Q9GZT9 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CNR2 P34972 2/20 0.39
SMO Q99835 5/20 0.37
ACSS2 Q9NR19 2/20 0.36
TLR2 O60603 2/20 0.35
HIF1A Q16665 1/20 0.35
GABRA5 P31644 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL5547282 0.89 MEN1 (0.51) MEN1KMT2AEGLN1L3MBTL1CNR2
SCHEMBL5545896 0.89 MEN1 (0.40) MEN1KMT2AEGLN1L3MBTL1CNR2
SCHEMBL5541165 0.87 L3MBTL1 (0.52) MEN1KMT2AL3MBTL1CNR2ACSS2
SCHEMBL5540886 0.87 MEN1 (0.41) MEN1KMT2AEGLN1L3MBTL1CNR2
SCHEMBL5540495 0.87 EGLN1 (0.41) MEN1KMT2AEGLN1L3MBTL1CNR2
SCHEMBL5545627 0.86 GRIN2B (0.40) MEN1KMT2AEGLN1L3MBTL1HIF1A
SCHEMBL5543099 0.86 CNR2 (0.42) MEN1KMT2AEGLN1L3MBTL1CNR2
SCHEMBL4761144 0.85 EGLN1 (0.40) MEN1KMT2AEGLN1L3MBTL1CNR2
SCHEMBL5541118 0.85 TLR2 (0.42) MEN1KMT2AL3MBTL1CNR2ACSS2
SCHEMBL5545427 0.85 TLR2 (0.42) MEN1KMT2AL3MBTL1CNR2ACSS2

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 6 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
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO 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 MEN1 4802/4885KMT2A 502/4885EGLN1 3142/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 MEN1 4837/4885KMT2A 819/4885EGLN1 3238/4885

“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.