SCHEMBL6500953

SCHEMBL6500953

O=C(N[C@@H](C(=O)O)c1ccccc1)c1ncc2cccnc2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.53
PRTN3 P24158 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
FEN1 P39748 1/20 0.50
SLC2A1 P11166 1/20 0.49
EGLN1 Q9GZT9 2/20 0.43
HSP90AA1 P07900 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 2/20 0.43
MAOA P21397 1/20 0.43
AKR1B1 P15121 2/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
PAX8 Q06710 2/20 0.42
P4HB P07237 3/20 0.42
RCE1 Q9Y256 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 2/20 0.42

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
SCHEMBL6492038 1.00 ELANE (0.53) ELANEPRTN3SIRT2FEN1SLC2A1
SCHEMBL13849025 0.90 ELANE (0.54) ELANEPRTN3SIRT2FEN1SLC2A1
SCHEMBL13848758 0.90 ELANE (0.54) ELANEPRTN3SIRT2FEN1SLC2A1
SCHEMBL4065733 0.85 MAOA (0.60) FEN1SLC2A1HSP90AA1NPC1RAB9A
SCHEMBL4059832 0.85 MAOA (0.60) FEN1SLC2A1HSP90AA1NPC1RAB9A
SCHEMBL4060889 0.83 FEN1 (0.48) FEN1SLC2A1EGLN1HSP90AA1NPC1
SCHEMBL4063678 0.81 ROCK1 (0.48) FEN1SLC2A1EGLN1HSP90AA1NPC1
SCHEMBL4060413 0.81 FEN1 (0.47) FEN1SLC2A1EGLN1HSP90AA1NPC1
SCHEMBL4064351 0.81 FEN1 (0.53) FEN1SLC2A1EGLN1HSP90AA1NPC1
SCHEMBL4061803 0.79 NPC1 (0.49) FEN1SLC2A1EGLN1HSP90AA1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 US claimed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US claimed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 US disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 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-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA ELANE 1356/4885PRTN3 1174/4885SIRT2 514/4885

“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.