SCHEMBL1983676

SCHEMBL1983676

CC(C)(CO)c1ccc(N2[C@H](c3ccc([N+](=O)[O-])cc3)CC[C@H]2c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.43
MAPT P10636 10/20 0.42
ALDH1A1 P00352 6/20 0.42
HSD11B1 P28845 3/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ENPP2 Q13822 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL2368332 0.86 HSD11B1 (0.53) PDE5AMAPTALDH1A1HSD11B1HTT
SCHEMBL240960 0.86 HSD11B1 (0.53) PDE5AMAPTALDH1A1HSD11B1HTT
SCHEMBL1982140 0.81 MAPT (0.35) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL14856738 0.81 MAPT (0.35) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL1982892 0.81 HSD11B1 (0.48) PDE5AMAPTALDH1A1HSD11B1HTT
SCHEMBL428785 0.80 ALDH1A1 (0.49) MAPTALDH1A1HSD11B1MAPK1
SCHEMBL18913912 0.77 MAPT (0.46) PDE5AMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1982068 0.76 POLB (0.62) MAPTALDH1A1HSD11B1HTTSMN1; SMN2
SCHEMBL1984022 0.76 POLB (0.62) MAPTALDH1A1HSD11B1HTTSMN1; SMN2
SCHEMBL6123191 0.76 POLB (0.62) MAPTALDH1A1HSD11B1HTTSMN1; SMN2

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-2628481-A1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV AbbVie Bahamas Ltd. (BS) 2013-08-21 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 PDE5A 4013/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PDE5A 4013/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS PDE5A 4013/4885MAPT 2833/4885ALDH1A1 2858/4885

“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.