SCHEMBL13435219

SCHEMBL13435219

O=c1c2sccc2c2cccnc2n1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 5/20 0.47
KDM4E B2RXH2 2/20 0.41
ADORA1 P30542 4/20 0.40
ERCC1 P07992 2/20 0.40
ERCC5 P28715 2/20 0.40
ERCC4 Q92889 2/20 0.40
DAO P14920 1/20 0.40
ADORA2A P29274 1/20 0.38
KAT2B Q92831 4/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
LMNA P02545 1/20 0.36
EP300 Q09472 2/20 0.35

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
SCHEMBL3514691 0.77 FEN1 (0.58) FEN1KDM4EERCC1ERCC5ERCC4
SCHEMBL2549113 0.74 KDM4E (0.47) FEN1KDM4EADORA1ERCC1ERCC5
Hydrochloric Acid SCHEMBL2553176 0.73 KDM4E (0.46) FEN1KDM4EADORA1ERCC1ERCC5
SCHEMBL2550369 0.70 ERCC5 (0.40) FEN1KDM4EADORA1ERCC1ERCC5
SCHEMBL13435251 0.69 FEN1 (0.53) FEN1KDM4EDAOALDH1A1MAPT
Hydrochloric Acid SCHEMBL15092346 0.69 ERCC5 (0.39) FEN1KDM4EADORA1ERCC1ERCC5
SCHEMBL3514352 0.68 PLK1 (0.50) FEN1KAT2BHDAC3HDAC1HDAC2
SCHEMBL3516280 0.67 FEN1 (0.50) FEN1KDM4EADORA1DAOADORA2A
SCHEMBL3518495 0.67 FEN1 (0.50) FEN1KDM4EADORA1DAOADORA2A
SCHEMBL13461600 0.67 FEN1 (0.47) FEN1KDM4EDAOALDH1A1MAPT

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 3 patents. 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
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 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 (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 FEN1 115/4885KDM4E 2380/4885ADORA1 1075/4885

“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.