SCHEMBL5126306

SCHEMBL5126306

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 6/20 0.48
HTT P42858 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CCR6 P51684 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL1534083 0.86 MEN1 (0.54) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL4746286 0.84 MEN1 (0.46) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL16839605 0.78 EGLN1 (0.53) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL16761884 0.77 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL4477812 0.74 LMNA (0.46) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL4477132 0.74 LMNA (0.50) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL4936795 0.74 MEN1 (0.43) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL4483474 0.74 LMNA (0.45) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL4696401 0.73 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL4478189 0.72 LMNA (0.46) ALDH1A1MEN1KMT2ALMNAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ALDH1A1 815/4885MEN1 4539/4885KMT2A 1646/4885

“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.