Sugi Predict

Sugi Predict / Compounds / SCHEMBL240800

SCHEMBL240800

SCHEMBL240800

O=[N+]([O-])c1cc([C@H]2CC[C@H](c3cc([N+](=O)[O-])c(Cl)cc3F)N2c2cc(F)c(N3CCC(Cc4ccccc4)CC3)c(F)c2)c(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ NPBWR1 P48145 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ TMEM97 Q5BJF2 2/20 0.40
▸ FAAH O00519 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL242039 0.91 FFAR4 (0.36) HTTMAPTALDH1A1HSP90AA1TDP1
SCHEMBL237500 0.87 MAPT (0.39) MAPTALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL240260 0.86 ALDH1A1 (0.37) HTTMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL241269 0.86 ALDH1A1 (0.37) HTTMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL240606 0.84 FFAR2 (0.38) HTTMAPTALDH1A1TDP1L3MBTL1
SCHEMBL238468 0.83 ALDH1A1 (0.39) HTTMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL240305 0.83 ALDH1A1 (0.39) HTTMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL239795 0.83 GRM2 (0.35) MAPTL3MBTL1SMN1; SMN2LMNAMEN1
SCHEMBL240067 0.82 NPBWR1 (0.34) HTTMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL237412 0.81 MAPT (0.37) MAPTALDH1A1TDP1LMNAFAAH

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-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
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 HTT 1821/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTT 1821/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTT 1821/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTT 1821/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTT 1821/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTT 1821/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTT 1821/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTT 1821/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTT 1821/4885MAPT 2833/4885ALDH1A1 2858/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS HTT 1821/4885MAPT 2833/4885ALDH1A1 2858/4885

“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.