SCHEMBL239929

SCHEMBL239929

CC(C)(C)Nc1ccc(N2[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 4/20 0.33
VCAM1 P19320 4/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
RECQL P46063 2/20 0.33
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
KAT2B Q92831 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
MCL1 Q07820 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
PKM P14618 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
SCHEMBL242322 0.85 KAT2B (0.40) KMT2AALDH1A1VCAM1MAPTMEN1
SCHEMBL240276 0.84 CNR1 (0.39) KMT2AALDH1A1VCAM1MAPTMEN1
SCHEMBL240377 0.82 VCAM1 (0.38) KMT2AALDH1A1VCAM1MAPTMEN1
SCHEMBL238247 0.81 KAT2B (0.37) KMT2AALDH1A1VCAM1MAPTMEN1
SCHEMBL1986316 0.79 MAPT (0.41) KMT2AALDH1A1VCAM1MAPTMEN1
SCHEMBL30554955 0.79 MAPT (0.41) KMT2AALDH1A1VCAM1MAPTMEN1
SCHEMBL240641 0.79 MAPT (0.41) KMT2AALDH1A1VCAM1MAPTMEN1
SCHEMBL240079 0.79 MAPK1 (0.46) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL1983538 0.79 LMNA (0.40) KMT2AALDH1A1VCAM1MAPTMEN1
SCHEMBL30554970 0.79 LMNA (0.40) KMT2AALDH1A1VCAM1MAPTMEN1

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 19 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
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-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-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 KMT2A 4093/4885ALDH1A1 2858/4885VCAM1 931/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885VCAM1 931/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885VCAM1 931/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885VCAM1 931/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885VCAM1 931/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885VCAM1 931/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885VCAM1 931/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885VCAM1 931/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885VCAM1 931/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885VCAM1 931/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885ALDH1A1 2858/4885VCAM1 931/4885

“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.