SCHEMBL3517786

SCHEMBL3517786

CCOC(=O)c1c(O)c2cc(Br)cnc2n(O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 4/20 0.44
RECQL P46063 1/20 0.42
LMNA P02545 2/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
CNR2 P34972 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 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
SCHEMBL20568495 0.88 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4ERECQLLMNA
SCHEMBL24003104 0.87 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4ERECQLLMNA
SCHEMBL3517521 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4ERECQLLMNA
SCHEMBL30187165 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4ERECQLLMNA
SCHEMBL24002747 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4ERECQLLMNA
SCHEMBL25452920 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4ERECQLLMNA
SCHEMBL3517888 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4ERECQLLMNA
SCHEMBL3519481 0.82 KDM4E (0.51) ALDH1A1SMN1; SMN2KDM4ERECQLLMNA
SCHEMBL2087341 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4ERECQLLMNA
SCHEMBL3518509 0.81 KDM4E (0.50) ALDH1A1SMN1; SMN2KDM4ERECQLLMNA

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 6 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
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO 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 ALDH1A1 1486/4885SMN1; SMN2 1566/4885KDM4E 2380/4885

“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.