SCHEMBL3515858

SCHEMBL3515858

O=C(O)NCc1cccc(CNC(=O)Cc2c(O)c3cccnc3n(OCc3ccccc3)c2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ENPP2 Q13822 2/20 0.39
TP53 P04637 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
RECQL P46063 1/20 0.37
AKT1 P31749 1/20 0.37
POLB P06746 2/20 0.37
ERCC1 P07992 1/20 0.37
ERCC4 Q92889 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL3515010 0.93 MAPT (0.41) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL3514741 0.83 PTGDR2 (0.49) KDM4E
SCHEMBL13435316 0.76 KDM4E (0.42) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL16238692 0.75 CNR2 (0.46) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL3518291 0.74 HDAC3 (0.38) MAPTTP53LIPGAKT1
SCHEMBL3514876 0.74 CNR2 (0.44) MAPTKDM4EALDH1A1TP53POLB
SCHEMBL1522959 0.73 KDM4E (0.53) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL3515850 0.73 L3MBTL1 (0.54) MAPTKDM4EALDH1A1LMNA
SCHEMBL3516729 0.73 HIF1A (0.50) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL19519830 0.73 MAPT (0.44) MAPTKDM4EALDH1A1TP53LIPG

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
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

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 MAPT 3237/4885KDM4E 2380/4885ALDH1A1 1486/4885

“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.