Sugi Predict

Sugi Predict / Compounds / SCHEMBL240960

SCHEMBL240960

SCHEMBL240960

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.53
▸ MAPT P10636 7/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ PDE5A O76074 1/20 0.47
▸ SIRT6 Q8N6T7 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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 1.00 HSD11B1 (0.53) HSD11B1MAPTALDH1A1PDE5ASIRT6
SCHEMBL1982892 0.94 HSD11B1 (0.48) HSD11B1MAPTALDH1A1PDE5ASIRT6
SCHEMBL1983271 0.88 HSD11B1 (0.46) HSD11B1MAPTALDH1A1PDE5ASMN1; SMN2
SCHEMBL1982346 0.87 HSD11B1 (0.43) HSD11B1MAPTALDH1A1PDE5ASIRT6
SCHEMBL1983676 0.86 PDE5A (0.43) HSD11B1MAPTALDH1A1PDE5ASIRT6
SCHEMBL18913912 0.82 MAPT (0.46) MAPTALDH1A1PDE5ASIRT6SMN1; SMN2
SCHEMBL1984022 0.81 POLB (0.62) HSD11B1MAPTALDH1A1SIRT6SMN1; SMN2
SCHEMBL1982952 0.81 MAPT (0.47) MAPTALDH1A1SIRT6SMN1; SMN2HTT
SCHEMBL6123191 0.81 POLB (0.62) HSD11B1MAPTALDH1A1SIRT6SMN1; SMN2
SCHEMBL1982068 0.81 POLB (0.62) HSD11B1MAPTALDH1A1SIRT6SMN1; 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 — — US disclosed
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 — — EP disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 — — US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 — — US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — US disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 — — EP disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 — — US disclosed
EP-2628481-B1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV ABBVIE BAHAMAS LTD (BS) 2016-02-24 — — EP disclosed
EP-2692346-B1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative ABBVIE BAHAMAS LTD (BS) 2015-12-02 — — EP disclosed
US-20150322108-A1 CRYSTALLINE POLYMORPHS ABBVIE INC. 2015-11-12 — — US disclosed
US-20120258909-A1 Solid Compositions ABBOTT LABORATORIES (US) 2012-10-11 — — US disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 — — US disclosed
EP-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 — — EP disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 — — US disclosed
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 — — EP disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 — — US disclosed
EP-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 — — EP disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 — — US 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 (11 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 HSD11B1 2525/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20150322108-A1 CRYSTALLINE POLYMORPHS HLA-C, PML, HLA-B HSD11B1 216/4885MAPT 158/4885ALDH1A1 1995/4885
US-20120258909-A1 Solid Compositions ABCG2, SLCO1B1, SLCO1B3 HSD11B1 1338/4885MAPT 838/4885ALDH1A1 2292/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS HSD11B1 2525/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD11B1 2525/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD11B1 2525/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD11B1 2525/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD11B1 2525/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD11B1 2525/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD11B1 2525/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD11B1 2525/4885MAPT 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.