SCHEMBL5993629

SCHEMBL5993629

CNC(=O)C1CCCC1NC(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ GLS O94925 1/20 0.48
▸ HPGD P15428 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ F2 P00734 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ ADAM17 P78536 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CASP3 P42574 1/20 0.43

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
SCHEMBL13014827 0.86 EPHX2 (0.50) EPHX2MAPTGLSHPGDTDP1
SCHEMBL6385132 0.84 EPHX2 (0.64) EPHX2MAPTGLSMEN1KMT2A
SCHEMBL8520402 0.78 ADAM17 (0.45) EPHX2MAPTL3MBTL1MEN1KMT2A
SCHEMBL11083024 0.78 EPHX2 (0.59) EPHX2MAPTGLSHPGDTDP1
SCHEMBL11085609 0.77 EPHX2 (0.58) EPHX2MAPTGLSHPGDTDP1
SCHEMBL11087924 0.75 EPHX2 (0.64) EPHX2MAPTGLSMEN1KMT2A
SCHEMBL5049597 0.74 EPHX2 (0.90) EPHX2MEN1KMT2AHDAC8HDAC6
SCHEMBL11079169 0.74 EPHX2 (0.67) EPHX2MAPTGLSMEN1KMT2A
SCHEMBL9637883 0.74 EPHX2 (0.62) EPHX2MAPTGLSMEN1KMT2A
SCHEMBL11079215 0.74 EPHX2 (0.62) EPHX2MAPTGLSHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 — — US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 — — US 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
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 — — US disclosed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 — — US 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
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 — — US disclosed
WO-2012083170-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 — — WO disclosed
WO-2012083164-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 — — WO disclosed
EP-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 — — EP disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 — — US 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
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 — — WO disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 — — WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 — — 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 (7 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 EPHX2 3893/4885MAPT 2833/4885GLS 3126/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS EPHX2 3893/4885MAPT 2833/4885GLS 3126/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS EPHX2 3893/4885MAPT 2833/4885GLS 3126/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS EPHX2 3893/4885MAPT 2833/4885GLS 3126/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS EPHX2 3893/4885MAPT 2833/4885GLS 3126/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS EPHX2 3893/4885MAPT 2833/4885GLS 3126/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS EPHX2 3893/4885MAPT 2833/4885GLS 3126/4885

“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.

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