SCHEMBL1983902

SCHEMBL1983902

CC(C)(C)OC(=O)N1CCCC1c1nc2ccc(Br)cc2n1COCC[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
USP30 Q70CQ3 1/20 0.39
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 3/20 0.36
GPR119 Q8TDV5 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
CHEK2 O96017 1/20 0.36

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
SCHEMBL1983903 1.00 KMT2A (0.41) KMT2AUSP30TP53MAPTALDH1A1
SCHEMBL236868 0.93 KMT2A (0.41) KMT2AUSP30TP53MAPTALDH1A1
SCHEMBL236869 0.93 KMT2A (0.41) KMT2AUSP30TP53MAPTALDH1A1
SCHEMBL13122559 0.89 TP53 (0.37) KMT2ATP53MAPTALDH1A1L3MBTL1
SCHEMBL10182389 0.88 KMT2A (0.39) KMT2AUSP30MAPTALDH1A1L3MBTL1
SCHEMBL240321 0.87 HCRTR1 (0.38) KMT2ATP53MAPTALDH1A1L3MBTL1
SCHEMBL240322 0.87 HCRTR1 (0.38) KMT2ATP53MAPTALDH1A1L3MBTL1
SCHEMBL13122563 0.87 ALDH1A1 (0.37) KMT2ATP53MAPTALDH1A1L3MBTL1
SCHEMBL239021 0.87 HCRTR1 (0.37) KMT2AUSP30TP53MAPTALDH1A1
SCHEMBL240500 0.87 TSHR (0.36) KMT2AUSP30TP53MAPTALDH1A1

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 KMT2A 4093/4885USP30 1963/4885TP53 996/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885USP30 1963/4885TP53 996/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885USP30 1963/4885TP53 996/4885

“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.