SCHEMBL237003

SCHEMBL237003

O=[N+]([O-])c1cc([C@H]2CC[C@H](c3cc([N+](=O)[O-])c(Cl)cc3F)N2c2cc(F)c(N3CCN(c4ccc(C(F)(F)F)cc4)CC3)c(F)c2)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.42
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 5/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
FFAR2 O15552 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 2/20 0.37
ENPP2 Q13822 1/20 0.37
SIRT6 Q8N6T7 1/20 0.36
MGLL Q99685 1/20 0.36
HTR1A P08908 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL15452994 0.88 SERPINE1 (0.43) SERPINE1MAPTTDP1LMNAHTT
SCHEMBL242340 0.88 SERPINE1 (0.43) SERPINE1MAPTTDP1LMNAHTT
SCHEMBL241269 0.86 ALDH1A1 (0.37) MAPTLMNAHTTL3MBTL1ALDH1A1
SCHEMBL240260 0.86 ALDH1A1 (0.37) MAPTLMNAHTTL3MBTL1ALDH1A1
SCHEMBL238468 0.84 ALDH1A1 (0.39) MAPTLMNAHTTL3MBTL1ALDH1A1
SCHEMBL240305 0.84 ALDH1A1 (0.39) MAPTLMNAHTTL3MBTL1ALDH1A1
SCHEMBL240606 0.83 FFAR2 (0.38) SERPINE1MAPTTDP1LMNAHTT
SCHEMBL239304 0.82 MAPT (0.37) MAPTTDP1LMNAHTTALDH1A1
SCHEMBL240997 0.82 KMT2A (0.38) MAPTLMNAL3MBTL1ALDH1A1MEN1
SCHEMBL240827 0.82 FFAR4 (0.33) MAPTTDP1ALDH1A1MEN1KMT2A

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-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
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 SERPINE1 1320/4885MAPT 2833/4885TDP1 3922/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SERPINE1 1320/4885MAPT 2833/4885TDP1 3922/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SERPINE1 1320/4885MAPT 2833/4885TDP1 3922/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SERPINE1 1320/4885MAPT 2833/4885TDP1 3922/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SERPINE1 1320/4885MAPT 2833/4885TDP1 3922/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SERPINE1 1320/4885MAPT 2833/4885TDP1 3922/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SERPINE1 1320/4885MAPT 2833/4885TDP1 3922/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SERPINE1 1320/4885MAPT 2833/4885TDP1 3922/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SERPINE1 1320/4885MAPT 2833/4885TDP1 3922/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS SERPINE1 1320/4885MAPT 2833/4885TDP1 3922/4885

“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.