SCHEMBL240083

SCHEMBL240083

O=C(CCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.72
ALDH1A1 P00352 6/20 0.56
MAPT P10636 3/20 0.56
HPGD P15428 2/20 0.56
LMNA P02545 1/20 0.56
RAF1 P04049 1/20 0.56
MAPK1 P28482 1/20 0.56
GFER P55789 1/20 0.56
PAX8 Q06710 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HSP90AA1 P07900 1/20 0.53
AGTR1 P30556 1/20 0.53

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
SCHEMBL2875677 0.94 VCAM1 (0.64) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL1983624 0.92 VCAM1 (0.62) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL11001741 0.92 VCAM1 (0.66) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL1981879 0.91 VCAM1 (0.60) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL11219158 0.91 VCAM1 (0.64) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL6740307 0.88 VCAM1 (0.70) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL4175676 0.88 VCAM1 (0.70) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL7315029 0.88 VCAM1 (0.60) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL9412619 0.88 VCAM1 (0.60) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL18833711 0.87 VCAM1 (0.68) VCAM1ALDH1A1MAPTHPGDLMNA

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 38 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-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-2628481-B1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV ABBVIE BAHAMAS LTD (BS) 2016-02-24 EP 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
WO-2012051361-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-19 WO 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 VCAM1 931/4885ALDH1A1 2858/4885MAPT 2833/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ALDH1A1 2858/4885MAPT 2833/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ALDH1A1 2858/4885MAPT 2833/4885

“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.