SCHEMBL240764

SCHEMBL240764

O=[N+]([O-])c1cc([C@H]2CC[C@H](c3cc([N+](=O)[O-])c(Cl)cc3F)N2c2cc(F)c(N3CCC(c4ccc(F)cc4F)CC3)c(F)c2)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
HSPB1 P04792 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL237412 0.91 MAPT (0.37) MAPTMAPK1TDP1ALDH1A1
SCHEMBL240260 0.87 ALDH1A1 (0.37) MAPTALDH1A1FFAR4
SCHEMBL241269 0.87 ALDH1A1 (0.37) MAPTALDH1A1FFAR4
SCHEMBL237500 0.87 MAPT (0.39) MAPTMAPK1TDP1ALDH1A1
SCHEMBL2279743 0.86 MAPT (0.35) MAPTMAPK1TDP1ALDH1A1
SCHEMBL238468 0.85 ALDH1A1 (0.39) MAPTMAPK1ALDH1A1
SCHEMBL240305 0.85 ALDH1A1 (0.39) MAPTMAPK1ALDH1A1
SCHEMBL237569 0.84 MAPT (0.36) MAPTMAPK1TDP1ALDH1A1
SCHEMBL240067 0.83 NPBWR1 (0.34) MAPTMAPK1TDP1ALDH1A1
SCHEMBL238392 0.83 MAPT (0.36) MAPTMAPK1TDP1ALDH1A1FFAR4

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 16 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 GRM2 4755/4885MAPT 2833/4885MAPK1 2093/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885MAPT 2833/4885MAPK1 2093/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885MAPT 2833/4885MAPK1 2093/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885MAPT 2833/4885MAPK1 2093/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885MAPT 2833/4885MAPK1 2093/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885MAPT 2833/4885MAPK1 2093/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885MAPT 2833/4885MAPK1 2093/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885MAPT 2833/4885MAPK1 2093/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885MAPT 2833/4885MAPK1 2093/4885

“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.