SCHEMBL240606

SCHEMBL240606

O=[N+]([O-])c1cc([C@H]2CC[C@H](c3cc([N+](=O)[O-])c(Cl)cc3F)N2c2cc(F)c(N3CCC(C(F)(c4ccccc4)c4ccccc4)CC3)c(F)c2)c(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.38
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 5/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
SERPINE1 P05121 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GPR174 Q9BXC1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL237500 0.85 MAPT (0.39) FFAR2POLBCYP2C9CYP2C19MAPT
SCHEMBL239304 0.85 MAPT (0.37) FFAR2POLBCYP2C9CYP2C19MAPT
SCHEMBL241269 0.84 ALDH1A1 (0.37) CYP2C9CYP2C19MAPTLMNAL3MBTL1
SCHEMBL240260 0.84 ALDH1A1 (0.37) CYP2C9CYP2C19MAPTLMNAL3MBTL1
SCHEMBL240800 0.84 HTT (0.43) POLBMAPTLMNATDP1L3MBTL1
SCHEMBL237003 0.83 SERPINE1 (0.42) FFAR2POLBCYP2C9CYP2C19MAPT
SCHEMBL242039 0.82 FFAR4 (0.36) FFAR2MAPTTDP1L3MBTL1HTT
SCHEMBL238468 0.82 ALDH1A1 (0.39) POLBCYP2C9CYP2C19MAPTLMNA
SCHEMBL240305 0.82 ALDH1A1 (0.39) POLBCYP2C9CYP2C19MAPTLMNA
SCHEMBL239795 0.81 GRM2 (0.35) FFAR2MAPTLMNAMAPK1L3MBTL1

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 18 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

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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885POLB 138/4885CYP2C9 3780/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885POLB 138/4885CYP2C9 3780/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885POLB 138/4885CYP2C9 3780/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885POLB 138/4885CYP2C9 3780/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885POLB 138/4885CYP2C9 3780/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885POLB 138/4885CYP2C9 3780/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885POLB 138/4885CYP2C9 3780/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885POLB 138/4885CYP2C9 3780/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885POLB 138/4885CYP2C9 3780/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS FFAR2 4763/4885POLB 138/4885CYP2C9 3780/4885

“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.