SCHEMBL3515532

SCHEMBL3515532

CCOC(=O)c1ccnc(NOCc2ccccc2)c1C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 3/20 0.51
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PRMT5 O14744 1/20 0.46
RAB9A P51151 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
NPC1 O15118 1/20 0.44
NUDT1 P36639 1/20 0.43
TSHR P16473 3/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MAPK10 P53779 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
SCHEMBL1522564 0.85 HTT (0.62) PPIAHTTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL16274643 0.82 POLB (0.48) PPIASMN1; SMN2RAB9ANPSR1KMT2A
SCHEMBL16274655 0.80 POLB (0.47) PPIASMN1; SMN2RAB9ANPSR1KMT2A
SCHEMBL16274872 0.79 POLB (0.46) PPIAL3MBTL1SMN1; SMN2RAB9AKMT2A
SCHEMBL16274596 0.79 JAK2 (0.49) SMN1; SMN2RAB9ANPSR1NPC1POLB
SCHEMBL16274738 0.79 AGTR1 (0.48) PPIAHTTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL16274916 0.79 RAB9A (0.53) PPIAHTTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL655816 0.77 RAB9A (0.51) PPIAHTTSMN1; SMN2RAB9ANPSR1
SCHEMBL15846056 0.76 ALDH1A1 (0.58) PPIAHTTL3MBTL1SMN1; SMN2NPSR1
SCHEMBL16274792 0.75 ALDH1A1 (0.60) HTTSMN1; SMN2RAB9ANPSR1KMT2A

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 PPIA 3083/4885HTT 1148/4885L3MBTL1 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.