SCHEMBL3515844

SCHEMBL3515844

COC(=O)c1ccc(-c2ccccc2)cc1-c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.57
CYP11B1 P15538 2/20 0.56
CYP11B2 P19099 2/20 0.56
CYP19A1 P11511 1/20 0.56
SLC2A1 P11166 1/20 0.56
MAPK1 P28482 1/20 0.54
MKNK1 Q9BUB5 6/20 0.53
MKNK2 Q9HBH9 6/20 0.53
CFTR P13569 1/20 0.53
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.48
EGFR P00533 1/20 0.48
NEK1 Q96PY6 1/20 0.47

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
SCHEMBL3517564 0.85 CYP11B1 (0.55) NR4A2CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL20118979 0.84 CYP46A1 (0.56) NR4A2CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL29644805 0.84 KMT2A (0.61) NR4A2CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL13435236 0.84 KMT2A (0.61) NR4A2CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL30118927 0.84 KMT2A (0.61) NR4A2CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL3515912 0.83 CFTR (0.53) NR4A2CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL20178609 0.82 CFTR (0.52) NR4A2CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL20173748 0.81 NR4A2 (0.51) NR4A2CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL4967106 0.81 NR4A2 (0.60) NR4A2CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL4338365 0.80 EGFR (0.48) NR4A2EGFR

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 NR4A2 1155/4885CYP11B1 2412/4885CYP11B2 3231/4885

“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.