SCHEMBL1534083

SCHEMBL1534083

CCOC(=O)C1=C(O)CCN(Cc2ccc(F)cc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 2/20 0.54
EGLN1 Q9GZT9 11/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
CCR6 P51684 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL16839605 0.87 EGLN1 (0.53) MEN1KMT2AALDH1A1EGLN1LMNA
SCHEMBL5126306 0.86 ALDH1A1 (0.49) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4746286 0.80 MEN1 (0.46) MEN1KMT2AALDH1A1EGLN1LMNA
SCHEMBL4936795 0.78 MEN1 (0.43) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL23910448 0.76 MEN1 (0.58) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4484374 0.76 LMNA (0.49) MEN1KMT2AALDH1A1EGLN1LMNA
SCHEMBL16839242 0.75 EGLN1 (0.73) EGLN1
SCHEMBL17902654 0.75 CASP3 (0.60) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL4492303 0.75 LMNA (0.47) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL16761884 0.74 ALDH1A1 (0.49) MEN1KMT2AALDH1A1EGLN1LMNA

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-20120220571-A1 HIV INTEGRASE INHIBITORS WAI JOHN S (US) 2012-08-30 US disclosed
US-20120220571-A1 HIV INTEGRASE INHIBITORS WAI JOHN S (US) 2012-08-30 US disclosed
EP-2470014-A1 HIV INTEGRASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-07-04 EP disclosed
WO-2011025683-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-03-03 WO disclosed
EP-1677599-A4 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-10-22 EP disclosed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
EP-1677599-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-07-12 EP disclosed
WO-2005041664-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-05-12 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-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP MEN1 4539/4885KMT2A 1646/4885ALDH1A1 815/4885
US-20120220571-A1 HIV INTEGRASE INHIBITORS POLR2E, POLR2H, POLR1A MEN1 4188/4885KMT2A 2325/4885ALDH1A1 2871/4885

“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.