SCHEMBL5545343

SCHEMBL5545343

Cn1c(=O)c(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3O)cc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HIF1A Q16665 7/20 0.35
GRIN2B Q13224 3/20 0.34
FEN1 P39748 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK14 Q16539 1/20 0.32
ALPL P05186 1/20 0.32
ALPG P10696 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
SCHEMBL4576606 0.91 MEN1 (0.37) MEN1KMT2AHIF1AGRIN2BFEN1
SCHEMBL5548083 0.91 MEN1 (0.35) MEN1KMT2AHIF1AGRIN2BFEN1
SCHEMBL5546555 0.89 HDAC3 (0.38) MEN1KMT2AHIF1AGRIN2BFEN1
SCHEMBL4591362 0.89 MEN1 (0.34) MEN1KMT2AHIF1AGRIN2BKDM4E
SCHEMBL4591622 0.88 HIF1A (0.34) MEN1KMT2AHIF1AFEN1ALDH1A1
SCHEMBL4591644 0.88 MEN1 (0.39) MEN1KMT2AHIF1ANPC1RAB9A
SCHEMBL5546795 0.88 TOP2A (0.35) MEN1KMT2AHIF1AFEN1
SCHEMBL4575647 0.88 GRIN2B (0.34) MEN1KMT2AHIF1AGRIN2BKDM4E
SCHEMBL4905927 0.87 MEN1 (0.38) MEN1KMT2AHIF1AALDH1A1NPC1
SCHEMBL4576192 0.87 GRIN2B (0.38) GRIN2B

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-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
CN-1976915-A HIV integrase inhibitors SMITHKLINE BEECHAM CORP (US) 2007-06-06 CN 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 (1 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 502/4885HIF1A 3928/4885

“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.