SCHEMBL14536652

SCHEMBL14536652

Cn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3c(F)cc(F)cc3F)cc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HIF1A Q16665 9/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK14 Q16539 1/20 0.35
ACSS2 Q9NR19 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
EGLN1 Q9GZT9 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
SCHEMBL14511060 0.93 MEN1 (0.40) KDM4EMEN1KMT2AHIF1AL3MBTL1
SCHEMBL14536651 0.92 MEN1 (0.39) KDM4EMEN1KMT2AHIF1AL3MBTL1
Gsk-364735 SCHEMBL5545304 0.88 KDM4E (0.53) KDM4EMEN1KMT2AHIF1AL3MBTL1
Gsk-364735 SCHEMBL5545803 0.87 KDM4E (0.52) KDM4EMEN1KMT2AHIF1AL3MBTL1
SCHEMBL6062341 0.86 KDM4E (0.48) KDM4EMEN1KMT2AHIF1AL3MBTL1
SCHEMBL5545319 0.85 KDM4E (0.34) KDM4EMEN1KMT2AHIF1ANPC1
SCHEMBL4906293 0.84 KDM4E (0.48) KDM4EMEN1KMT2AHIF1AL3MBTL1
SCHEMBL4901060 0.83 KDM4E (0.43) KDM4EMEN1KMT2AHIF1AL3MBTL1
SCHEMBL4591218 0.82 KDM4E (0.45) KDM4EMEN1KMT2AHIF1AL3MBTL1
SCHEMBL4575790 0.82 KDM4E (0.45) KDM4EMEN1KMT2AHIF1AL3MBTL1

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 5 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

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 1268/4885MEN1 4802/4885KMT2A 502/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM4E 1255/4885MEN1 4837/4885KMT2A 819/4885

“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.