SCHEMBL3517564

SCHEMBL3517564

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.55
CYP11B2 P19099 2/20 0.55
CYP19A1 P11511 1/20 0.55
SLC2A1 P11166 1/20 0.55
KMO O15229 1/20 0.55
MKNK1 Q9BUB5 4/20 0.54
MKNK2 Q9HBH9 4/20 0.54
CFTR P13569 1/20 0.52
ALDH1A1 P00352 1/20 0.51
NR4A2 P43354 3/20 0.50
MAPK1 P28482 1/20 0.50
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
IP6K1 Q92551 1/20 0.47
IP6K3 Q96PC2 1/20 0.47
IP6K2 Q9UHH9 1/20 0.47
KMT2A Q03164 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
SCHEMBL3514338 0.87 MKNK1 (0.60) CYP11B1CYP11B2CYP19A1SLC2A1MKNK1
SCHEMBL31209946 0.86 KMO (0.64) CYP11B1CYP11B2SLC2A1KMOMKNK1
SCHEMBL3517388 0.86 KMO (0.64) CYP11B1CYP11B2SLC2A1KMOMKNK1
SCHEMBL3515844 0.85 NR4A2 (0.57) CYP11B1CYP11B2CYP19A1SLC2A1MKNK1
SCHEMBL20118979 0.83 CYP46A1 (0.56) CYP11B1CYP11B2CYP19A1SLC2A1MKNK1
SCHEMBL3515912 0.82 CFTR (0.53) CYP11B1CYP11B2CYP19A1SLC2A1MKNK1
SCHEMBL20178609 0.81 CFTR (0.52) CYP11B1CYP11B2CYP19A1SLC2A1MKNK1
SCHEMBL20173748 0.80 NR4A2 (0.51) CYP11B1CYP11B2CYP19A1SLC2A1MKNK1
SCHEMBL13435236 0.80 KMT2A (0.61) CYP11B1CYP11B2CYP19A1SLC2A1CFTR
SCHEMBL29644805 0.80 KMT2A (0.61) CYP11B1CYP11B2CYP19A1SLC2A1CFTR

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 CYP11B1 2412/4885CYP11B2 3231/4885CYP19A1 524/4885

“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.