SCHEMBL236855

SCHEMBL236855

O=[N+]([O-])c1cc([C@H]2CC[C@@H](c3cc([N+](=O)[O-])c(Cl)cc3F)N2c2cnc(N3CCC(c4ccccc4)CC3)nc2)c(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.36
MAPT P10636 4/20 0.36
GPR174 Q9BXC1 1/20 0.35
IDO1 P14902 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
SCD O00767 1/20 0.33
SLC6A9 P48067 1/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL237500 0.88 MAPT (0.39) FFAR2MAPTGPR174IDO1ADRA2A
SCHEMBL239076 0.86 ALDH1A1 (0.37) MAPTGPR174MAPK1MEN1KMT2A
SCHEMBL237412 0.81 MAPT (0.37) MAPTMAPK1TDP1
SCHEMBL238392 0.79 MAPT (0.36) FFAR2MAPTMAPK1MEN1KMT2A
SCHEMBL240997 0.79 KMT2A (0.38) MAPTSCDSLC6A9MAPK1MEN1
SCHEMBL2279743 0.78 MAPT (0.35) FFAR2MAPTMAPK1MEN1KMT2A
SCHEMBL240800 0.78 HTT (0.43) MAPTMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL241805 0.76 KMT2A (0.41) FFAR2MAPTGPR174IDO1ADRA2A
SCHEMBL240764 0.75 GRM2 (0.39) MAPTMAPK1TDP1
SCHEMBL241269 0.75 ALDH1A1 (0.37) MAPTGPR174MEN1KMT2ASMN1; SMN2

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-2692726-A1 Anti-viral compounds Abbvie Inc. (US) 2014-02-05 EP disclosed
EP-2692346-A1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative 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 FFAR2 4763/4885MAPT 2833/4885GPR174 4539/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885MAPT 2833/4885GPR174 4539/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885MAPT 2833/4885GPR174 4539/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885MAPT 2833/4885GPR174 4539/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885MAPT 2833/4885GPR174 4539/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885MAPT 2833/4885GPR174 4539/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885MAPT 2833/4885GPR174 4539/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885MAPT 2833/4885GPR174 4539/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885MAPT 2833/4885GPR174 4539/4885

“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.