SCHEMBL3519733

SCHEMBL3519733

NCc1cccc(-c2cc(=O)n(O)c3ncccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CFD P00746 5/20 0.39
VHL P40337 1/20 0.37
FEN1 P39748 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
CHEK1 O14757 1/20 0.35
WEE1 P30291 1/20 0.35
PDE4D Q08499 1/20 0.35
IDH1 O75874 1/20 0.35
PIK3CD O00329 1/20 0.34
AKT1 P31749 1/20 0.34
ELANE P08246 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
ADRB2 P07550 1/20 0.34
MAPT P10636 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
SCHEMBL3514716 0.98 PRMT5 (0.39) PRMT5WDR77CFDVHLFEN1
SCHEMBL3515731 0.90 VHL (0.39) VHLLOXL2AKT1ELANE
SCHEMBL3515077 0.89 PRKCI (0.41) VHLFEN1CHEK1IDH1PIK3CD
SCHEMBL3519281 0.85 IDH1 (0.40) PRMT5WDR77CFDFEN1LOXL2
SCHEMBL3517754 0.82 PIK3CD (0.52) FEN1IDH1PIK3CDELANE
SCHEMBL18314572 0.82 IDH1 (0.39) PRMT5WDR77CFDIDH1ADRB2
SCHEMBL3515937 0.82 DRD2 (0.47) MAPT
SCHEMBL13435309 0.82 CYP1A2 (0.41) FEN1IDH1AKT1MAPT
SCHEMBL4460861 0.82 FEN1 (0.47) FEN1
SCHEMBL3515013 0.81 IDH1 (0.41) PRMT5WDR77CFDFEN1IDH1

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 PRMT5 2960/4885WDR77 1434/4885CFD 3645/4885

“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.