SCHEMBL3515399

SCHEMBL3515399

CCOC(=O)c1cc(S(=O)(=O)Nc2ccccc2)cnc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
LMNA P02545 6/20 0.54
ALDH1A1 P00352 5/20 0.54
POLB P06746 2/20 0.54
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 3/20 0.51
MAPK1 P28482 1/20 0.49
HTT P42858 4/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPARG P37231 1/20 0.47
MCL1 Q07820 1/20 0.47
MAPT P10636 4/20 0.46
GPR119 Q8TDV5 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PIK3CD O00329 1/20 0.45
PIK3R1 P27986 1/20 0.45
PIK3CA P42336 1/20 0.45

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
SCHEMBL3517724 0.85 KMT2A (0.51) KDM4ELMNAALDH1A1POLBTSHR
SCHEMBL1585724 0.83 AURKA (0.49) KDM4ELMNAALDH1A1POLBTSHR
SCHEMBL12468392 0.83 MEN1 (0.53) LMNAALDH1A1POLBTSHRKMT2A
SCHEMBL14814283 0.81 CASP1 (0.59) LMNAALDH1A1POLBKMT2ANPSR1
SCHEMBL3518287 0.80 POLB (0.46) KDM4ELMNAALDH1A1POLBTSHR
SCHEMBL1489173 0.79 CASP1 (0.44) KDM4ELMNAALDH1A1TSHRKMT2A
SCHEMBL6855768 0.79 CASP1 (0.44) KDM4ELMNAALDH1A1TSHRKMT2A
SCHEMBL3517346 0.76 KDM4E (0.43) KDM4ELMNAALDH1A1POLBTSHR
SCHEMBL26983369 0.76 RXFP1 (0.53) KDM4ELMNAALDH1A1KMT2ANPSR1
SCHEMBL13824904 0.75 ALDH1A1 (0.53) KDM4ELMNAALDH1A1POLBTSHR

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 KDM4E 2380/4885LMNA 658/4885ALDH1A1 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.