SCHEMBL3516729

SCHEMBL3516729

O=C(Nc1ccccc1)c1c(O)c2cccnc2n(OCc2ccccc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.50
EGFR P00533 1/20 0.49
SRC P12931 1/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.46
HTT P42858 4/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NLRP3 Q96P20 1/20 0.43

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
SCHEMBL16238692 0.86 CNR2 (0.46) MEN1KMT2ACNR1CNR2KDM4E
SCHEMBL1522567 0.85 KDM4E (0.57) HIF1AMEN1KMT2ACNR1CNR2
SCHEMBL3514876 0.85 CNR2 (0.44) MEN1KMT2ACNR1CNR2KDM4E
SCHEMBL3515850 0.83 L3MBTL1 (0.54) MEN1KMT2ACNR1CNR2KDM4E
SCHEMBL1522959 0.82 KDM4E (0.53) MEN1KMT2ACNR1CNR2KDM4E
SCHEMBL3517646 0.80 EGFR (0.57) HIF1AEGFRSRCMEN1KMT2A
SCHEMBL15859775 0.79 EGLN1 (0.49) HIF1ACNR1CNR2KDM4EALDH1A1
SCHEMBL3514741 0.79 PTGDR2 (0.49) MEN1KMT2ACNR1CNR2KDM4E
SCHEMBL16274752 0.79 EGFR (0.45) HIF1AEGFRMEN1KMT2AKDM4E
SCHEMBL3515995 0.78 ALDH1A1 (0.44) MEN1KMT2ACNR1CNR2KDM4E

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
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP 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 HIF1A 2454/4885EGFR 4078/4885SRC 4616/4885

“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.