SCHEMBL3519281

SCHEMBL3519281

NCc1cccc(-c2cccc(Cc3cc(=O)n(O)c4ncccc34)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.40
CFD P00746 9/20 0.38
F11 P03951 2/20 0.36
TPSB2 P20231 2/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
F7 P08709 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.34
FEN1 P39748 1/20 0.34
BACE1 P56817 1/20 0.34
SUCNR1 Q9BXA5 1/20 0.34
PAX8 Q06710 1/20 0.34
CDK8 P49336 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
HDAC3 O15379 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL3515013 0.96 IDH1 (0.41) IDH1CFDKLKB1FEN1BACE1
SCHEMBL18314572 0.95 IDH1 (0.39) IDH1CFDF11TPSB2PLG
SCHEMBL3519485 0.90 IDH1 (0.40) IDH1FEN1BACE1PAX8HDAC3
SCHEMBL3514825 0.89 IDH1 (0.41) IDH1FEN1BACE1PAX8HDAC3
SCHEMBL3514555 0.88 ADRB2 (0.39) IDH1FEN1PAX8HDAC3PRMT5
SCHEMBL3514716 0.85 PRMT5 (0.39) IDH1CFDF11TPSB2PLG
SCHEMBL3519733 0.85 PRMT5 (0.40) IDH1CFDLOXL2FEN1PRMT5
SCHEMBL20278682 0.84 IDH1 (0.41) IDH1FEN1BACE1SUCNR1FGFR1
SCHEMBL3515731 0.81 VHL (0.39) KLKB1LOXL2BACE1CDK8
SCHEMBL13435325 0.80 IDH1 (0.39) IDH1CFDF11TPSB2PLG

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
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
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 IDH1 963/4885CFD 3645/4885F11 1837/4885

“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.