SCHEMBL3514828

SCHEMBL3514828

CN(C)C(=O)c1c(O)c2cccnc2n(O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 3/20 0.46
CNR2 P34972 9/20 0.41
CNR1 P21554 6/20 0.41
KDM5A P29375 1/20 0.40
MEN1 O00255 1/20 0.40
PGR P06401 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NLRP3 Q96P20 1/20 0.38

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
SCHEMBL3518030 0.85 FEN1 (0.49) FEN1CNR2CNR1MEN1KMT2A
SCHEMBL3516722 0.83 ALDH1A1 (0.47) CNR2CNR1MEN1KMT2AKDM4E
SCHEMBL16250051 0.82 FEN1 (0.49) FEN1CNR2CNR1HTR3EHTR3B
SCHEMBL3517675 0.81 CNR2 (0.47) FEN1CNR2CNR1HTR3EHTR3B
SCHEMBL3517907 0.79 SLC6A4 (0.40) FEN1CNR2CNR1HTR3EHTR3B
SCHEMBL3516175 0.78 CNR2 (0.41) FEN1CNR2CNR1HTR3EHTR3B
SCHEMBL3514525 0.78 ALDH1A1 (0.55) KDM5AMEN1KMT2AKDM4EALDH1A1
SCHEMBL3516083 0.78 CNR2 (0.39) FEN1CNR2CNR1KDM5AHTR3E
SCHEMBL13435251 0.77 FEN1 (0.53) FEN1KDM4ENPC1ALDH1A1NPSR1
SCHEMBL3518472 0.75 CNR2 (0.63) CNR2CNR1MEN1KMT2AHTR3E

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 4 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
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 FEN1 115/4885CNR2 4813/4885CNR1 4017/4885

“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.