SCHEMBL237370

SCHEMBL237370

O=[N+]([O-])c1cc([C@@H](O)CC[C@H](O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.53
GRM6 O15303 1/20 0.53
GRM4 Q14833 1/20 0.53
VCAM1 P19320 14/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL1987819 1.00 GRM8 (0.53) GRM8GRM6GRM4VCAM1MEN1
SCHEMBL241620 1.00 GRM8 (0.53) GRM8GRM6GRM4VCAM1MEN1
SCHEMBL12727085 1.00 GRM8 (0.53) GRM8GRM6GRM4VCAM1MEN1
SCHEMBL1981964 0.93 ALDH1A1 (0.53) GRM8GRM6GRM4VCAM1MEN1
SCHEMBL1983282 0.91 GRM8 (0.47) GRM8GRM6GRM4VCAM1MEN1
SCHEMBL6743654 0.89 VCAM1 (0.50) GRM8GRM6GRM4VCAM1MEN1
SCHEMBL6743195 0.89 VCAM1 (0.50) GRM8GRM6GRM4VCAM1MEN1
SCHEMBL27819517 0.87 GRM8 (0.51) GRM8GRM6GRM4VCAM1MEN1
SCHEMBL6745454 0.87 VCAM1 (0.49) GRM8GRM6GRM4VCAM1MEN1
SCHEMBL6745105 0.87 VCAM1 (0.49) GRM8GRM6GRM4VCAM1MEN1

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 39 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
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-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-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-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
EP-2368890-B9 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-10-30 EP disclosed
EP-2628481-A1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV AbbVie Bahamas Ltd. (BS) 2013-08-21 EP disclosed
EP-2368890-B1 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-04-17 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
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
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

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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885

“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.