SCHEMBL3514731

SCHEMBL3514731

CCOC(=O)c1c(O)c2cc(-c3cccnc3)cnc2n(O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 6/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.40
DCTPP1 Q9H773 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 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
SCHEMBL3519481 0.90 KDM4E (0.51) KDM4EALDH1A1NPC1RAB9ARECQL
SCHEMBL3519310 0.87 KDM4E (0.44) KDM4EALDH1A1RECQLLMNAMEN1
SCHEMBL3518359 0.87 KDM4E (0.48) KDM4EALDH1A1NPC1RAB9ARECQL
SCHEMBL3517668 0.84 KDM4E (0.48) KDM4EALDH1A1RECQLMAOBMAPT
SCHEMBL3517888 0.84 ALDH1A1 (0.42) KDM5AKDM5BKDM4EALDH1A1RECQL
SCHEMBL3516008 0.83 EGLN1 (0.42) KDM4EALDH1A1RECQLMEN1POLB
SCHEMBL3514525 0.81 ALDH1A1 (0.55) KDM5AKDM5BKDM4EALDH1A1RECQL
SCHEMBL3516004 0.80 ALOX5 (0.48) KDM4EALDH1A1RECQLLMNA
SCHEMBL15528328 0.79 ALDH1A1 (0.41) KDM4EALDH1A1NPC1RAB9ARECQL
SCHEMBL3517786 0.79 ALDH1A1 (0.52) KDM5AKDM5BKDM4EALDH1A1RECQL

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 KDM5A 2846/4885KDM5B 2572/4885KDM4E 2380/4885

“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.