SCHEMBL3516008

SCHEMBL3516008

CCOC(=O)c1c(O)c2cc(-c3cccc(C#N)c3)cnc2n(O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
ELANE P08246 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
CNR2 P34972 2/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
F11 P03951 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL3519310 0.88 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HSD17B10MEN1
SCHEMBL3518359 0.88 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HSD17B10MEN1
SCHEMBL3519481 0.86 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HSD17B10MEN1
SCHEMBL14306391 0.85 EGLN1 (0.44) EGLN1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3517668 0.85 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL3514731 0.83 KDM5A (0.43) KDM4EALDH1A1SMN1; SMN2MEN1HPGD
SCHEMBL3517888 0.81 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2HSD17B10GLA
SCHEMBL3514752 0.78 AVPR1B (0.44) ALDH1A1CNR2
SCHEMBL15528328 0.78 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL3516004 0.77 ALOX5 (0.48) KDM4EALDH1A1RECQL

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 2 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

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 EGLN1 1767/4885GABRG2 4822/4885GABRB3 4866/4885

“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.