SCHEMBL3515445

SCHEMBL3515445

O=c1cc(OS(=O)(=O)C(F)(F)F)c2cccnc2n1OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
SLC40A1 Q9NP59 1/20 0.35
ESR2 Q92731 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
AR P10275 2/20 0.32
L3MBTL1 Q9Y468 4/20 0.32
KDM4E B2RXH2 2/20 0.32
LTA4H P09960 1/20 0.32
MAPK14 Q16539 1/20 0.32
PPIA P62937 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL4488787 0.83 ALDH1A1 (0.40) OPRM1OPRD1ALDH1A1TSHRSLC40A1
SCHEMBL16274844 0.78 ESR2 (0.36) ALDH1A1TSHRESR2KDM4ESMN1; SMN2
SCHEMBL3514631 0.77 ALDH1A1 (0.41) OPRM1OPRD1ALDH1A1TSHRL3MBTL1
SCHEMBL3515379 0.77 KDM4E (0.45) OPRM1OPRD1ALDH1A1TSHRPTGDR2
SCHEMBL3517696 0.76 ALDH1A1 (0.40) OPRM1OPRD1ALDH1A1TSHRL3MBTL1
SCHEMBL3515840 0.76 SMN1; SMN2 (0.40) OPRM1OPRD1ALDH1A1TSHRSLC40A1
SCHEMBL3515597 0.75 ALDH1A1 (0.42) ALDH1A1TSHRPTGDR2L3MBTL1KDM4E
SCHEMBL16236700 0.75 MAPK8 (0.38) ALDH1A1TSHRPTGDR2KDM4EMAPT
SCHEMBL3517138 0.73 MEN1 (0.42) ALDH1A1TSHRPTGDR2L3MBTL1KDM4E
SCHEMBL3519104 0.72 ALDH1A1 (0.39) OPRM1OPRD1ALDH1A1TSHRL3MBTL1

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-12502362-B2 Inhibitors of nucleotidyltransferase superfamily enzymes as antibiotics SAINT LOUIS UNIVERSITY (US) 2025-12-23 US disclosed
US-20200147086-A1 INHIBITORS OF NUCLEOTIDYLTRANSFERASE SUPERFAMILY ENZYMES AS ANTIBIOTICS SAINT LOUIS UNIVERSITY (US) 2020-05-14 US disclosed
WO-2018213378-A1 INHIBITORS OF NUCLEOTIDYLTRANSFERASE SUPERFAMILY ENZYMES AS ANTIBIOTICS SAINT LOUIS UNIVERSITY (US) 2018-11-22 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-12502362-B2 Inhibitors of nucleotidyltransferase superfamily enzymes as antibiotics DNTT, APRT, RNGTT OPRM1 2036/4885OPRD1 2114/4885ALDH1A1 1388/4885
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL OPRM1 1798/4885OPRD1 707/4885ALDH1A1 1486/4885
US-20200147086-A1 INHIBITORS OF NUCLEOTIDYLTRANSFERASE SUPERFAMILY ENZYMES AS ANTIBIOTICS DNTT, APRT, RNGTT OPRM1 2036/4885OPRD1 2114/4885ALDH1A1 1388/4885

“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.