SCHEMBL240322

SCHEMBL240322

Cc1cc2c(cc1Br)nc([C@@H]1CCCN1C(=O)OC(C)(C)C)n2COCC[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ALDH1A1 P00352 6/20 0.38
TSHR P16473 3/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL240321 1.00 HCRTR1 (0.38) HCRTR1HCRTR2ALDH1A1TSHRGAA
SCHEMBL1591990 0.91 ALDH1A1 (0.35) ALDH1A1TSHRGAATP53MAPT
SCHEMBL253048 0.91 ALDH1A1 (0.35) ALDH1A1TSHRGAATP53MAPT
SCHEMBL240500 0.91 TSHR (0.36) ALDH1A1TSHRGAATP53MAPT
SCHEMBL239021 0.91 HCRTR1 (0.37) HCRTR1HCRTR2ALDH1A1TSHRGAA
SCHEMBL239020 0.91 HCRTR1 (0.37) HCRTR1HCRTR2ALDH1A1TSHRGAA
SCHEMBL240501 0.91 TSHR (0.36) ALDH1A1TSHRGAATP53MAPT
SCHEMBL1983903 0.87 KMT2A (0.41) ALDH1A1TSHRGAATP53MAPT
SCHEMBL1983902 0.87 KMT2A (0.41) ALDH1A1TSHRGAATP53MAPT
SCHEMBL236868 0.87 KMT2A (0.41) ALDH1A1TSHRGAATP53MAPT

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 18 patents. 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-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157104-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-2692726-A1 Anti-viral compounds Abbvie Inc. (US) 2014-02-05 EP 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 (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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS HCRTR1 4113/4885HCRTR2 4609/4885ALDH1A1 2858/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HCRTR1 4113/4885HCRTR2 4609/4885ALDH1A1 2858/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HCRTR1 4113/4885HCRTR2 4609/4885ALDH1A1 2858/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HCRTR1 4113/4885HCRTR2 4609/4885ALDH1A1 2858/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HCRTR1 4113/4885HCRTR2 4609/4885ALDH1A1 2858/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HCRTR1 4113/4885HCRTR2 4609/4885ALDH1A1 2858/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HCRTR1 4113/4885HCRTR2 4609/4885ALDH1A1 2858/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HCRTR1 4113/4885HCRTR2 4609/4885ALDH1A1 2858/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HCRTR1 4113/4885HCRTR2 4609/4885ALDH1A1 2858/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HCRTR1 4113/4885HCRTR2 4609/4885ALDH1A1 2858/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS HCRTR1 4113/4885HCRTR2 4609/4885ALDH1A1 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.