SCHEMBL3514409

SCHEMBL3514409

CCOC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2)cnc1NOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
FFAR1 O14842 1/20 0.41
NMT1 P30419 2/20 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
SCHEMBL3518487 0.92 NPC1 (0.45) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL3514831 0.88 SMN1; SMN2 (0.46) MAOBL3MBTL1NPC1RAB9AMEN1
SCHEMBL4340763 0.80 MAOB (0.40) MAOBL3MBTL1MEN1KMT2AMAPT
SCHEMBL3516071 0.79 MAPT (0.48) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL3517509 0.77 MAOB (0.41) MAOBL3MBTL1MEN1KMT2AMAPT
SCHEMBL16274738 0.73 AGTR1 (0.48) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL7118490 0.72 SMN1; SMN2 (0.53) RAB9AMEN1KMT2AMAPTCYP1A2
SCHEMBL1522564 0.72 HTT (0.62) L3MBTL1RAB9AMEN1KMT2AHSP90AA1
SCHEMBL3516064 0.72 MAOB (0.42) MAOBMEN1KMT2AMAPTCYP1A2
SCHEMBL3518287 0.72 POLB (0.46) NPC1RAB9AMEN1KMT2AHSP90AA1

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 MAOB 1186/4885L3MBTL1 2155/4885NPC1 463/4885

“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.