SCHEMBL3516336

SCHEMBL3516336

O=C(O)c1cc2cccnc2n(O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR1 P21554 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 5/20 0.41
FEN1 P39748 2/20 0.41
NAPRT Q6XQN6 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL16237012 0.86 PARP1 (0.47) AHRKDM4ECNR1CNR2FEN1
SCHEMBL27631474 0.83 LMNA (0.44) AHRKDM4ETDP1CNR1ALDH1A1
SCHEMBL1372639 0.83 AHR (0.62) AHRKDM4ETDP1CNR1ALDH1A1
SCHEMBL4488740 0.82 AHR (0.52) AHRCNR1CNR2
SCHEMBL1375742 0.82 MET (0.52) AHRCNR1ALDH1A1TSHRCNR2
Hydrochloric Acid SCHEMBL1373594 0.82 AHR (0.60) AHRKDM4ETDP1CNR1ALDH1A1
Hydrochloric Acid SCHEMBL1373870 0.81 MET (0.51) AHRCNR1ALDH1A1TSHRCNR2
SCHEMBL3517555 0.79 ELANE (0.49) KDM4EALDH1A1TSHRCNR2CA12
SCHEMBL18950173 0.79 CNR1 (0.57) KDM4ECNR1ALDH1A1CNR2MAOB
SCHEMBL1372681 0.77 CNR1 (0.66) KDM4ECNR1CYP3A4CNR2LMNA

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 AHR 1023/4885KDM4E 2380/4885TDP1 103/4885

“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.