SCHEMBL1983563

SCHEMBL1983563

O=[N+]([O-])c1cccc(C(O)CCC(O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
MEN1 O00255 1/20 0.64
HPGD P15428 1/20 0.64
KMT2A Q03164 1/20 0.64
TSHR P16473 4/20 0.55
LMNA P02545 1/20 0.55
ACP3 P15309 1/20 0.54
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 1/20 0.52
GRM8 O00222 4/20 0.51
GRM4 Q14833 4/20 0.51
GRM6 O15303 3/20 0.51
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
TP53 P04637 1/20 0.47
ACHE P22303 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL2367944 1.00 L3MBTL1 (0.64) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL3779030 0.97 L3MBTL1 (0.61) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL11452596 0.92 L3MBTL1 (0.59) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL9157996 0.90 L3MBTL1 (0.62) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL9158002 0.90 L3MBTL1 (0.62) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL19339253 0.89 L3MBTL1 (0.60) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL6743779 0.88 L3MBTL1 (0.62) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL2234292 0.88 L3MBTL1 (0.62) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL31376571 0.88 L3MBTL1 (0.62) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL6745214 0.88 L3MBTL1 (0.62) L3MBTL1MEN1HPGDKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2628481-B1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV ABBVIE BAHAMAS LTD (BS) 2016-02-24 EP disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 US disclosed
EP-2853531-A2 Antiviral compounds AbbVie Bahamas Ltd. (BS) 2015-04-01 EP disclosed
EP-2455376-B1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) ABBVIE BAHAMAS LTD (BS) 2014-11-26 EP disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 US disclosed
EP-2337781-B1 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION ABBVIE BAHAMAS LTD (BS) 2014-07-23 EP disclosed
EP-2368890-B9 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-10-30 EP disclosed
EP-2628481-A1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV AbbVie Bahamas Ltd. (BS) 2013-08-21 EP disclosed
EP-2368890-B1 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-04-17 EP disclosed
EP-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 EP disclosed
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 EP disclosed
EP-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 EP disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 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-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS L3MBTL1 2364/4885MEN1 4681/4885HPGD 3586/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS L3MBTL1 2364/4885MEN1 4681/4885HPGD 3586/4885

“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.