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SCHEMBL240505

SCHEMBL240505

COc1cc(Br)cc2nc([C@@H]3CCCN3C(=O)OC(C)(C)C)n(COCC[Si](C)(C)C)c12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ USP30 Q70CQ3 2/20 0.34
▸ TSHR P16473 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ EPHA2 P29317 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ UCHL1 P09936 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL240504 1.00 KMT2A (0.36) KMT2AALDH1A1USP30TSHRMEN1
SCHEMBL242126 0.90 ALDH1A1 (0.38) KMT2AALDH1A1USP30TSHRMEN1
SCHEMBL242127 0.90 ALDH1A1 (0.38) KMT2AALDH1A1USP30TSHRMEN1
SCHEMBL1592506 0.89 KMT2A (0.37) KMT2AALDH1A1USP30TSHRMEN1
SCHEMBL1592509 0.89 KMT2A (0.37) KMT2AALDH1A1USP30TSHRMEN1
SCHEMBL241873 0.88 KMT2A (0.36) KMT2AALDH1A1USP30TSHRMEN1
SCHEMBL241872 0.88 KMT2A (0.36) KMT2AALDH1A1USP30TSHRMEN1
SCHEMBL239021 0.86 HCRTR1 (0.37) KMT2AALDH1A1USP30TSHRMEN1
SCHEMBL239020 0.86 HCRTR1 (0.37) KMT2AALDH1A1USP30TSHRMEN1
SCHEMBL236869 0.84 KMT2A (0.41) KMT2AALDH1A1USP30TSHRMEN1

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 21 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-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 — — US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 — — US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — 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
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 — — US disclosed
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 — — US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 — — US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 — — US disclosed
EP-2692346-A1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative Abbvie Inc. (US) 2014-02-05 — — EP disclosed
EP-2692726-A1 Anti-viral compounds Abbvie Inc. (US) 2014-02-05 — — EP disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 — — US disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 — — US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 — — US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 — — US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 — — 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 (12 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885USP30 1963/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885USP30 1963/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885USP30 1963/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885USP30 1963/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885USP30 1963/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885USP30 1963/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885USP30 1963/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885USP30 1963/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885USP30 1963/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885USP30 1963/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885USP30 1963/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885USP30 1963/4885

“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.