SCHEMBL5540495

SCHEMBL5540495

O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(-c2ccc(F)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.41
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 1/20 0.40
METAP2 P50579 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GPR52 Q9Y2T5 2/20 0.38
GRIN2B Q13224 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CNR2 P34972 2/20 0.35
TLR2 O60603 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
HTR3A P46098 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
SCHEMBL5540560 0.93 EGLN1 (0.41) EGLN1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5538686 0.92 GPR52 (0.39) EGLN1KDM4ECYP1A2METAP2MEN1
SCHEMBL5546914 0.92 CYP1A2 (0.38) EGLN1KDM4ECYP1A2METAP2MEN1
SCHEMBL5547361 0.92 EGLN1 (0.41) EGLN1CNR2TSHRHTR3A
SCHEMBL4761144 0.91 EGLN1 (0.40) EGLN1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5540886 0.91 MEN1 (0.41) EGLN1MEN1KMT2AL3MBTL1GPR52
SCHEMBL15163567 0.90 TLR2 (0.39) EGLN1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5545627 0.90 GRIN2B (0.40) EGLN1KDM4ECYP1A2MEN1KMT2A
SCHEMBL5547163 0.89 CYP1A2 (0.39) EGLN1KDM4ECYP1A2METAP2MEN1
SCHEMBL5545896 0.88 MEN1 (0.40) EGLN1MEN1KMT2AL3MBTL1CNR2

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 12 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 claimed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP claimed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US claimed
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP claimed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO claimed
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 EGLN1 3142/4885KDM4E 1268/4885CYP1A2 2238/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 EGLN1 3238/4885KDM4E 1255/4885CYP1A2 2523/4885

“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.