SCHEMBL1983247

SCHEMBL1983247

CC(C)(C)OC(=O)N1CCCC1c1nc(-c2ccc(C3CCC(c4ccc([N+](=O)[O-])cc4)N3c3ccc(C(C)(C)C)cc3)cc2)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
PDE5A O76074 1/20 0.37
HSD11B1 P28845 3/20 0.35
PRCP P42785 1/20 0.35
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
GCK P35557 1/20 0.33
BCL2 P10415 1/20 0.33
BECN1 Q14457 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL1983248 1.00 ALDH1A1 (0.41) ALDH1A1MAPTLMNAPDE5AHSD11B1
SCHEMBL1987265 0.93 ALDH1A1 (0.41) ALDH1A1MAPTLMNAPDE5AUCHL1
SCHEMBL1987266 0.93 ALDH1A1 (0.41) ALDH1A1MAPTLMNAPDE5AUCHL1
SCHEMBL1984714 0.89 PRCP (0.35) PRCPUCHL1USP30
SCHEMBL1984716 0.89 PRCP (0.35) PRCPUCHL1USP30
SCHEMBL2793620 0.88 ALDH1A1 (0.43) ALDH1A1MAPTLMNAUCHL1USP30
SCHEMBL2793622 0.88 ALDH1A1 (0.43) ALDH1A1MAPTLMNAUCHL1USP30
SCHEMBL2367420 0.86 NPC1 (0.49) LMNAUCHL1USP30
SCHEMBL2367426 0.86 NPC1 (0.49) LMNAUCHL1USP30
SCHEMBL1983019 0.86 NPC1 (0.49) LMNAUCHL1USP30

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
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
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 ALDH1A1 2858/4885MAPT 2833/4885LMNA 3118/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885LMNA 3118/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885LMNA 3118/4885

“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.