SCHEMBL3260685

SCHEMBL3260685

O=C(NC1CC1)c1ccc(-c2ccc3nc([C@@H]4CCCN4C(=O)OCc4ccccc4)sc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 4/20 0.48
LIPG Q9Y5X9 6/20 0.43
LIPC P11150 2/20 0.43
ENPP2 Q13822 2/20 0.43
ATXN2 Q99700 1/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TMPRSS15 P98073 1/20 0.40
CPT1A P50416 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL3220842 1.00 AADAT (0.48) AADATLIPGLIPCENPP2ATXN2
SCHEMBL14160545 0.89 AADAT (0.50) AADATLIPGLIPCCPT1A
SCHEMBL14117159 0.87 AADAT (0.50) AADATMEN1KMT2ASMN1; SMN2PPARG
SCHEMBL3215257 0.82 ENPP2 (0.43) AADATENPP2ATXN2MEN1NPC1
SCHEMBL3200648 0.82 USP30 (0.48) ENPP2ATXN2
SCHEMBL3215248 0.82 ENPP2 (0.43) AADATENPP2ATXN2MEN1NPC1
SCHEMBL3200630 0.82 USP30 (0.48) ENPP2ATXN2
SCHEMBL13424945 0.82 TMEM97 (0.52) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3212933 0.82 TMEM97 (0.52) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3220048 0.82 AADAT (0.48) AADATLIPGENPP2CPT1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
EP-2097405-A2 ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-09 EP disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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 (2 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-20080193411-A1 Anti-viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 AADAT 2338/4885LIPG 1624/4885LIPC 1753/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 AADAT 2338/4885LIPG 1624/4885LIPC 1753/4885

“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.