SCHEMBL2367426

SCHEMBL2367426

CC(C)(C)OC(=O)N1CCCC1c1nc(-c2ccc(C3CCC(c4ccc(NC(=O)[C@H]5CCCN5C(=O)OC(C)(C)C)cc4)N3c3ccc(C(C)(C)C)cc3)cc2)c[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
JAK2 O60674 3/20 0.43
USP30 Q70CQ3 2/20 0.43
UCHL1 P09936 1/20 0.43
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
JAK3 P52333 2/20 0.40
HDAC8 Q9BY41 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN5A Q14524 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL1983019 1.00 NPC1 (0.49) NPC1MEN1KMT2AJAK2USP30
SCHEMBL2367420 1.00 NPC1 (0.49) NPC1MEN1KMT2AJAK2USP30
SCHEMBL1982510 0.93 NPC1 (0.49) NPC1MEN1KMT2AJAK2USP30
SCHEMBL1982512 0.93 NPC1 (0.49) NPC1MEN1KMT2AJAK2USP30
SCHEMBL1982516 0.93 NPC1 (0.49) NPC1MEN1KMT2AJAK2USP30
SCHEMBL10092372 0.88 NPC1 (0.60) NPC1MEN1KMT2AJAK2USP30
SCHEMBL1984714 0.87 PRCP (0.35) USP30UCHL1SCN9ASCN3ASCN5A
SCHEMBL1984716 0.87 PRCP (0.35) USP30UCHL1SCN9ASCN3ASCN5A
SCHEMBL1983247 0.86 ALDH1A1 (0.41) USP30UCHL1LMNA
SCHEMBL1983248 0.86 ALDH1A1 (0.41) USP30UCHL1LMNA

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 13 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
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 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 (3 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPC1 81/4885MEN1 4681/4885KMT2A 4093/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS NPC1 81/4885MEN1 4681/4885KMT2A 4093/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPC1 81/4885MEN1 4681/4885KMT2A 4093/4885

“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.