SCHEMBL239420

SCHEMBL239420

CCOC(=O)/C=C/c1ccc2c(c1)nc([C@@H]1CCCN1C(=O)OC(C)(C)C)n2COCC[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
TP53 P04637 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HRH1 P35367 1/20 0.35
P2RY12 Q9H244 1/20 0.34
GAA P10253 1/20 0.34
ACHE P22303 1/20 0.34
POLB P06746 1/20 0.34
TTR P02766 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL239419 1.00 HDAC1 (0.37) HDAC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL239421 1.00 HDAC1 (0.37) HDAC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL239422 1.00 HDAC1 (0.37) HDAC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL236845 0.88 TSHR (0.38) HDAC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL236844 0.88 TSHR (0.38) HDAC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL236846 0.88 TSHR (0.38) HDAC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL241005 0.88 TSHR (0.41) HDAC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL241008 0.88 TSHR (0.41) HDAC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL241007 0.88 TSHR (0.41) HDAC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL241006 0.88 TSHR (0.41) HDAC1ALDH1A1MEN1KMT2AMAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2692346-B1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative ABBVIE BAHAMAS LTD (BS) 2015-12-02 EP 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-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 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 (10 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 HDAC1 1199/4885ALDH1A1 2858/4885MEN1 4681/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HDAC1 1199/4885ALDH1A1 2858/4885MEN1 4681/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HDAC1 1199/4885ALDH1A1 2858/4885MEN1 4681/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HDAC1 1199/4885ALDH1A1 2858/4885MEN1 4681/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HDAC1 1199/4885ALDH1A1 2858/4885MEN1 4681/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HDAC1 1199/4885ALDH1A1 2858/4885MEN1 4681/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HDAC1 1199/4885ALDH1A1 2858/4885MEN1 4681/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HDAC1 1199/4885ALDH1A1 2858/4885MEN1 4681/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HDAC1 1199/4885ALDH1A1 2858/4885MEN1 4681/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS HDAC1 1199/4885ALDH1A1 2858/4885MEN1 4681/4885

“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.