SCHEMBL5540560

SCHEMBL5540560

COc1ccc(-n2c(=O)c(C(=O)NCCO)c(O)c3ncc(Cc4ccc(F)cc4)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.41
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HIF1A Q16665 1/20 0.38
ALOX15 P16050 1/20 0.37
RCE1 Q9Y256 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL5546501 0.93 EGLN1 (0.41) EGLN1POLBMEN1KMT2AKDM4E
SCHEMBL5540495 0.93 EGLN1 (0.41) EGLN1MEN1KMT2AKDM4EHIF1A
SCHEMBL5545713 0.91 EGLN1 (0.40) EGLN1MEN1KMT2AKDM4EMAPK1
SCHEMBL5545627 0.89 GRIN2B (0.40) EGLN1MEN1KMT2AKDM4EMAPK1
SCHEMBL5539026 0.88 ALDH1A1 (0.42) EGLN1MEN1KMT2AKDM4EMAPK1
SCHEMBL5546914 0.87 CYP1A2 (0.38) EGLN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL5540886 0.86 MEN1 (0.41) EGLN1POLBMEN1KMT2AMAPT
SCHEMBL5538686 0.86 GPR52 (0.39) EGLN1POLBMEN1KMT2AKDM4E
SCHEMBL5547361 0.85 EGLN1 (0.41) EGLN1HTTTP53
SCHEMBL4761144 0.85 EGLN1 (0.40) EGLN1POLBMEN1KMT2AKDM4E

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 9 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 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
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 3142/4885POLB 113/4885MEN1 4802/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 EGLN1 3238/4885POLB 115/4885MEN1 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.