SCHEMBL6413677

SCHEMBL6413677

NN=C(c1ccccc1C(=O)O)c1nc2nonc2nc1NCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.42
KDM4E B2RXH2 4/20 0.39
ASPH Q12797 2/20 0.39
KDM8 Q8N371 2/20 0.39
KMT2A Q03164 2/20 0.39
APEX1 P27695 1/20 0.39
ACHE P22303 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLAU P00749 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6413651 1.00 KDM5B (0.42) KDM5BKDM4EASPHKDM8KMT2A
SCHEMBL6414661 0.88 MEN1 (0.37) KDM4EKMT2AACHEL3MBTL1PLAU
SCHEMBL6414671 0.88 MEN1 (0.37) KDM4EKMT2AACHEL3MBTL1PLAU
SCHEMBL6433087 0.87 ALDH1A1 (0.41) KDM5BKDM4EKMT2AACHEALDH1A1
SCHEMBL6433104 0.87 ALDH1A1 (0.41) KDM5BKDM4EKMT2AACHEALDH1A1
SCHEMBL6416054 0.84 LDHA (0.46) KMT2AACHEPLAUCYP1A2CYP3A4
SCHEMBL6416068 0.84 LDHA (0.46) KMT2AACHEPLAUCYP1A2CYP3A4
SCHEMBL6419681 0.83 DHODH (0.42) KMT2AALDH1A1POLBGAAAURKA
SCHEMBL6419692 0.83 DHODH (0.42) KMT2AALDH1A1POLBGAAAURKA
SCHEMBL6415718 0.82 EGFR (0.39) KDM4EKMT2AACHEL3MBTL1CYP1A2

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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds 4SC AG (DE) 2005-06-30 US disclosed
EP-1529531-A1 Oxadiazolopyrazine derivatives as pharmaceutically active compounds 4SC AG (DE) 2005-05-11 EP 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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds NR5A2, NR1H2, NR2C2 KDM5B 2671/4885KDM4E 3277/4885ASPH 3091/4885

“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.