SCHEMBL3517646

SCHEMBL3517646

O=C(Nc1ccccc1)c1c(O)c2cccnc2n(O)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.57
SRC P12931 1/20 0.57
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 4/20 0.50
HTT P42858 4/20 0.50
HPGD P15428 2/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
LMNA P02545 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 2/20 0.49
HIF1A Q16665 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NLRP3 Q96P20 1/20 0.49
HSP90AA1 P07900 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPT P10636 3/20 0.48

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
SCHEMBL3517379 0.89 RAB9A (0.57) EGFRSRCMEN1KMT2AKDM4E
SCHEMBL3518921 0.86 MAPT (0.50) EGFRSRCMEN1KMT2AKDM4E
SCHEMBL9046763 0.85 EGFR (0.55) EGFRSRCMEN1KMT2AKDM4E
SCHEMBL3514858 0.84 GRM4 (0.53) MEN1KMT2AALDH1A1HTTHPGD
SCHEMBL3514745 0.83 HTR2C (0.50) EGFRSRCMEN1KMT2ANPC1
SCHEMBL3517675 0.83 CNR2 (0.47) KDM4EALDH1A1HTTHPGDCNR1
SCHEMBL3517727 0.83 MEN1 (0.57) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL3516933 0.82 HPGD (0.56) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL3519638 0.81 KMT2A (0.47) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL3519492 0.80 L3MBTL1 (0.60) MEN1KMT2AKDM4EALDH1A1HTT

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 EGFR 4078/4885SRC 4616/4885MEN1 3126/4885

“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.