SCHEMBL3516083

SCHEMBL3516083

CN(C(=O)c1c(O)c2cccnc2n(O)c1=O)C1CCN(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.39
CNR1 P21554 6/20 0.39
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
USP30 Q70CQ3 1/20 0.37
KDM5A P29375 1/20 0.36
SMO Q99835 1/20 0.35
MCHR1 Q99705 3/20 0.35
FEN1 P39748 1/20 0.34
ELANE P08246 1/20 0.34
POLR1A O95602 1/20 0.34

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
SCHEMBL3517907 0.80 SLC6A4 (0.40) CNR2CNR1HTR3EHTR3BHTR3A
SCHEMBL3514828 0.78 FEN1 (0.46) CNR2CNR1HTR3EHTR3BHTR3A
SCHEMBL3519945 0.76 CNR2 (0.44) CNR2CNR1HTR3EHTR3BHTR3A
SCHEMBL3516722 0.72 ALDH1A1 (0.47) CNR2CNR1
SCHEMBL3516175 0.72 CNR2 (0.41) CNR2CNR1HTR3EHTR3BHTR3A
SCHEMBL3518030 0.71 FEN1 (0.49) CNR2CNR1HTR3EHTR3BHTR3A
SCHEMBL3518472 0.70 CNR2 (0.63) CNR2CNR1HTR3EHTR3BHTR3A
SCHEMBL3514788 0.70 CNR2 (0.44) CNR2CNR1FEN1
SCHEMBL16250051 0.69 FEN1 (0.49) CNR2CNR1HTR3EHTR3BHTR3A
SCHEMBL3517675 0.68 CNR2 (0.47) CNR2CNR1HTR3EHTR3BHTR3A

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 CNR2 4813/4885CNR1 4017/4885HTR3E 3375/4885

“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.