SCHEMBL3517138

SCHEMBL3517138

CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)c2cccnc2n(OCc2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 5/20 0.40
TSHR P16473 4/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 4/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PPIA P62937 1/20 0.37
ADORA1 P30542 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL16236700 0.91 MAPK8 (0.38) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL16275011 0.88 KDM4E (0.39) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL16274613 0.86 KDM4E (0.39) KDM4ETSHRALDH1A1GAAMAPK1
SCHEMBL3516700 0.84 MEN1 (0.40) MEN1KMT2AKDM4EALDH1A1PTGDR2
SCHEMBL1522959 0.83 KDM4E (0.53) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL3519079 0.82 F2 (0.39) ALDH1A1HPGDMAPTF2
SCHEMBL3519088 0.81 MEN1 (0.47) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL3519513 0.80 ALOX5 (0.38) KDM4ETSHRALDH1A1RECQLF2
SCHEMBL16250041 0.80 MAPK8 (0.36) KDM4EALDH1A1MAPK1PTGDR2MAPT
SCHEMBL15847071 0.78 PTGDR2 (0.46) MEN1KMT2AKDM4EALDH1A1PTGDR2

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 MEN1 3126/4885KMT2A 2764/4885KDM4E 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.