SCHEMBL3514723

SCHEMBL3514723

CC(Nc1cc(=O)n(O)c2ncccc12)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ASPH Q12797 2/20 0.43
KDM8 Q8N371 2/20 0.43
RIOX2 Q8IUF8 1/20 0.43
KDM4C Q9H3R0 1/20 0.41
FEN1 P39748 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2B6 P20813 1/20 0.38
TP53 P04637 1/20 0.38
KAT2B Q92831 2/20 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
SCHEMBL3516717 1.00 KDM4E (0.43) KDM4EASPHKDM8RIOX2KDM4C
SCHEMBL3514910 1.00 KDM4E (0.43) KDM4EASPHKDM8RIOX2KDM4C
SCHEMBL16274619 0.83 KDM4E (0.44) KDM4EASPHKDM8RIOX2KDM4C
SCHEMBL18136095 0.79 FEN1 (0.47) KDM4EKDM4CFEN1ALDH1A1HPGD
SCHEMBL3518138 0.78 RPS6KB1 (0.46) KDM4EHTTSMN1; SMN2TP53
SCHEMBL3518140 0.78 FEN1 (0.44) KDM4EKDM4CFEN1ALDH1A1HPGD
SCHEMBL3518012 0.77 SCN1A (0.44) MEN1KMT2A
SCHEMBL3519112 0.76 MEN1 (0.54) FEN1ALDH1A1HPGDTP53MEN1
SCHEMBL3516223 0.75 BACE1 (0.49) KDM4EASPHKDM8RIOX2FEN1
SCHEMBL3516206 0.75 KDR (0.51) ALDH1A1HDAC6SMN1; SMN2CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL KDM4E 2380/4885ASPH 291/4885KDM8 1409/4885

“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.