SCHEMBL1982935

SCHEMBL1982935

CC(C)(C)c1ccc(NC(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.78
HDAC3 O15379 2/20 0.78
HDAC8 Q9BY41 2/20 0.78
HDAC11 Q96DB2 1/20 0.78
TRPV1 Q8NER1 5/20 0.71
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
NR1H4 Q96RI1 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63

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
SCHEMBL7296335 1.00 HDAC6 (0.78) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL7303163 0.91 HDAC3 (0.86) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL675041 0.88 HDAC6 (1.00) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL21798720 0.87 KMT2A (0.76) NPC1RAB9AMEN1KMT2A
SCHEMBL3679372 0.87 KMT2A (0.76) NPC1RAB9AMEN1KMT2A
SCHEMBL5223825 0.86 NR1H4 (0.71) HDAC6HDAC3HDAC8HDAC11NR1H4
SCHEMBL21588672 0.85 SMN1; SMN2 (0.76) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL23352874 0.84 HDAC3 (0.75) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL7301362 0.84 HDAC3 (0.75) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL7293270 0.84 HDAC3 (0.75) HDAC6HDAC3HDAC8HDAC11TRPV1

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 15 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
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US 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 (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 HDAC6 239/4885HDAC3 667/4885HDAC8 1304/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS HDAC6 239/4885HDAC3 667/4885HDAC8 1304/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HDAC6 239/4885HDAC3 667/4885HDAC8 1304/4885

“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.