Sugi Predict

Sugi Predict / Compounds / SCHEMBL240808

SCHEMBL240808

SCHEMBL240808

O=[N+]([O-])c1cc([C@H]2CC[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2c2ccc(C3CC3)cc2F)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ VCAM1 P19320 6/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL238882 0.82 KAT2B (0.41) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL241163 0.81 MAPT (0.37) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL237497 0.81 MAPT (0.49) MAPTALDH1A1LMNAKMT2AGAA
SCHEMBL239570 0.81 MAPT (0.35) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL1065965 0.81 VCAM1 (0.50) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL242322 0.80 KAT2B (0.40) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL239493 0.79 L3MBTL1 (0.40) MAPTALDH1A1LMNAKMT2AGAA
SCHEMBL240276 0.79 CNR1 (0.39) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL16589619 0.78 KMT2A (0.39) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL240079 0.78 MAPK1 (0.46) MAPTALDH1A1LMNAKMT2AGAA

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 19 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
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 — — 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 (11 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 MAPT 2833/4885ALDH1A1 2858/4885LMNA 3118/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885ALDH1A1 2858/4885LMNA 3118/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885ALDH1A1 2858/4885LMNA 3118/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885ALDH1A1 2858/4885LMNA 3118/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885ALDH1A1 2858/4885LMNA 3118/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885ALDH1A1 2858/4885LMNA 3118/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885ALDH1A1 2858/4885LMNA 3118/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885ALDH1A1 2858/4885LMNA 3118/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885ALDH1A1 2858/4885LMNA 3118/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885ALDH1A1 2858/4885LMNA 3118/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885ALDH1A1 2858/4885LMNA 3118/4885

“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.