SCHEMBL3517697

SCHEMBL3517697

O=C(O)c1cnc(NOCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GCK P35557 2/20 0.44
NR4A2 P43354 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PPIA P62937 2/20 0.41
XDH P47989 1/20 0.41
MAP4K4 O95819 1/20 0.41
SRD5A2 P31213 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FOLH1 Q04609 1/20 0.40
MGAM O43451 1/20 0.40
P4HTM Q9NXG6 1/20 0.40

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
SCHEMBL14304212 0.85 LRRK2 (0.42) MEN1KMT2ANPC1RAB9APPIA
SCHEMBL3515762 0.83 LMNA (0.50) NPC1RAB9APPIAALDH1A1
SCHEMBL2027375 0.79 DHODH (0.55) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL31133151 0.76 MAP4K4 (0.52) MEN1KMT2AGCKNR4A2NPC1
SCHEMBL31132542 0.76 MAP4K4 (0.52) MEN1KMT2AGCKNR4A2NPC1
SCHEMBL3514925 0.74 ALDH1A1 (0.45) GCKALDH1A1
SCHEMBL8881727 0.71 MEN1 (0.54) MEN1KMT2AGCKNR4A2NPC1
SCHEMBL488339 0.70 MAP4K4 (0.74) MEN1KMT2ANR4A2NPC1RAB9A
SCHEMBL31133124 0.70 HPGD (0.55) MEN1KMT2ANR4A2NPC1RAB9A
SCHEMBL31132733 0.70 HPGD (0.55) MEN1KMT2ANR4A2NPC1RAB9A

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 MEN1 3126/4885KMT2A 2764/4885GCK 2607/4885

“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.