SCHEMBL6062341

SCHEMBL6062341

Cn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)c(F)c3)cc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
HIF1A Q16665 6/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GPR52 Q9Y2T5 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDPK1 O15530 1/20 0.37
TSHR P16473 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36

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
SCHEMBL14511059 0.93 HIF1A (0.42) KDM4EHIF1AMEN1KMT2AL3MBTL1
SCHEMBL14536653 0.91 HIF1A (0.43) KDM4EHIF1AMEN1KMT2AL3MBTL1
Gsk-364735 SCHEMBL5545304 0.91 KDM4E (0.53) KDM4EHIF1AMEN1KMT2AGPR52
Gsk-364735 SCHEMBL5545803 0.90 KDM4E (0.52) KDM4EHIF1AMEN1KMT2AGPR52
SCHEMBL14536652 0.86 KDM4E (0.47) KDM4EHIF1AMEN1KMT2AL3MBTL1
SCHEMBL5541153 0.85 HIF1A (0.39) HIF1AMEN1KMT2ACACNA1H
SCHEMBL5546508 0.85 MEN1 (0.50) KDM4EHIF1AMEN1KMT2AL3MBTL1
SCHEMBL4906293 0.83 KDM4E (0.48) KDM4EHIF1AMEN1KMT2AL3MBTL1
SCHEMBL5539034 0.82 MEN1 (0.51) KDM4EHIF1AMEN1KMT2AL3MBTL1
SCHEMBL4901060 0.82 KDM4E (0.43) KDM4EHIF1AMEN1KMT2AL3MBTL1

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-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
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 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 KDM4E 1268/4885HIF1A 3928/4885MEN1 4802/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM4E 1255/4885HIF1A 3112/4885MEN1 4837/4885

“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.