SCHEMBL3514831

SCHEMBL3514831

CCOC(=O)c1cc([N+](=O)[O-])cnc1NOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PPIA P62937 1/20 0.44
GLA P06280 1/20 0.44
CYP19A1 P11511 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NMT1 P30419 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAOB P27338 1/20 0.43
NMT2 O60551 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HSP90AA1 P07900 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL3514409 0.88 MAOB (0.47) SMN1; SMN2MAPTL3MBTL1PPIARAB9A
SCHEMBL4478129 0.82 MAPT (0.39) SMN1; SMN2MAPTPPIARAB9ANPC1
SCHEMBL3518487 0.78 NPC1 (0.45) MAPTPPIACYP19A1RAB9ANPC1
SCHEMBL16274738 0.78 AGTR1 (0.48) SMN1; SMN2MAPTL3MBTL1PPIARAB9A
SCHEMBL1522564 0.78 HTT (0.62) SMN1; SMN2MAPTL3MBTL1PPIARAB9A
SCHEMBL3518287 0.77 POLB (0.46) SMN1; SMN2MAPTPPIARAB9ANPC1
SCHEMBL16274916 0.76 RAB9A (0.53) SMN1; SMN2MAPTL3MBTL1PPIARAB9A
SCHEMBL2332293 0.74 MAPT (0.55) SMN1; SMN2MAPTGLARAB9ANPC1
SCHEMBL655816 0.74 RAB9A (0.51) SMN1; SMN2MAPTPPIARAB9ANPC1
SCHEMBL3515532 0.73 PPIA (0.51) SMN1; SMN2MAPTL3MBTL1PPIARAB9A

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 SMN1; SMN2 1566/4885MAPT 3237/4885L3MBTL1 2155/4885

“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.