SCHEMBL3514404

SCHEMBL3514404

Nc1ccc(Cc2ccc(-c3cc(=O)n(O)c4ncccc34)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
CYP17A1 P05093 2/20 0.38
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
GRM2 Q14416 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
FEN1 P39748 2/20 0.36
IDH1 O75874 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4460861 0.81 FEN1 (0.47) FEN1ALDH1A1TSHRDAO
SCHEMBL3517544 0.79 FEN1 (0.42) L3MBTL1FEN1KDM4EDAO
SCHEMBL3515077 0.78 PRKCI (0.41) FEN1IDH1
SCHEMBL3514825 0.77 IDH1 (0.41) CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL3519733 0.77 PRMT5 (0.40) PRMT5WDR77FEN1IDH1
SCHEMBL3514555 0.76 ADRB2 (0.39) PRMT5WDR77FEN1IDH1
SCHEMBL3514716 0.75 PRMT5 (0.39) PRMT5WDR77FEN1IDH1
SCHEMBL3517459 0.75 GSTP1 (0.44) CYP17A1CYP19A1CYP11B1CYP11B2FEN1
SCHEMBL3518501 0.75 NPC1 (0.39) PRMT5WDR77FEN1ALDH1A1DAO
SCHEMBL3519477 0.75 GLO1 (0.41) CYP11B1FEN1KDM4EDAO

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 1 patent. 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

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 CYP3A4 857/4885CYP17A1 891/4885CYP19A1 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.