SCHEMBL3519945

SCHEMBL3519945

O=C(CNC1CCN(C(=O)O)C1)c1c(O)c2cccnc2n(O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.44
CNR1 P21554 6/20 0.44
HTR3A P46098 3/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3516083 0.76 CNR2 (0.39) CNR2CNR1HTR3AHTR3EHTR3B
SCHEMBL3518472 0.74 CNR2 (0.63) CNR2CNR1HTR3AHTR3EHTR3B
SCHEMBL3516890 0.72 CNR2 (0.69) CNR2CNR1L3MBTL1
SCHEMBL3514788 0.69 CNR2 (0.44) CNR2CNR1MEN1ALDH1A1KMT2A
SCHEMBL16250051 0.68 FEN1 (0.49) CNR2CNR1HTR3AHTR3EHTR3B
SCHEMBL3518030 0.68 FEN1 (0.49) CNR2CNR1HTR3AHTR3EHTR3B
SCHEMBL3517727 0.68 MEN1 (0.57) CNR2CNR1MEN1ALDH1A1KMT2A
SCHEMBL3517675 0.68 CNR2 (0.47) CNR2CNR1HTR3AHTR3EHTR3B
SCHEMBL3517646 0.67 EGFR (0.57) CNR2CNR1MEN1ALDH1A1KMT2A
SCHEMBL23359678 0.66 MEN1 (0.47) MEN1ALDH1A1KMT2AL3MBTL1

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 1 patent. 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

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 CNR2 4813/4885CNR1 4017/4885HTR3A 3997/4885

“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.