Sugi Predict

Sugi Predict / Compounds / SCHEMBL238416

SCHEMBL238416

SCHEMBL238416

C[C@@H]1CN(c2c(F)cc(N3[C@@H](c4cc([N+](=O)[O-])c(Cl)cc4F)CC[C@@H]3c3cc([N+](=O)[O-])c(Cl)cc3F)cc2F)C[C@H](C)O1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ALDH1A1 P00352 12/20 0.33
▸ GAA P10253 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HTT P42858 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ AKR1B1 P15121 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL17287938 0.89 MAPT (0.35) MAPTRAB9AALDH1A1GAAHTT
SCHEMBL239785 0.89 MAPT (0.35) MAPTRAB9AALDH1A1GAAHTT
SCHEMBL240305 0.83 ALDH1A1 (0.39) MAPTALDH1A1GAASMN1; SMN2HTT
SCHEMBL238468 0.83 ALDH1A1 (0.39) MAPTALDH1A1GAASMN1; SMN2HTT
SCHEMBL241269 0.82 ALDH1A1 (0.37) MAPTALDH1A1GAASMN1; SMN2HTT
SCHEMBL240260 0.82 ALDH1A1 (0.37) MAPTALDH1A1GAASMN1; SMN2HTT
SCHEMBL239304 0.81 MAPT (0.37) MAPTALDH1A1GAASMN1; SMN2HTT
SCHEMBL240827 0.81 FFAR4 (0.33) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL240067 0.80 NPBWR1 (0.34) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL240997 0.79 KMT2A (0.38) MAPTALDH1A1LMNAMEN1KMT2A

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 TSHR 4834/4885MAPT 2833/4885RAB9A 1535/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885MAPT 2833/4885RAB9A 1535/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885MAPT 2833/4885RAB9A 1535/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885MAPT 2833/4885RAB9A 1535/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885MAPT 2833/4885RAB9A 1535/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885MAPT 2833/4885RAB9A 1535/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885MAPT 2833/4885RAB9A 1535/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885MAPT 2833/4885RAB9A 1535/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885MAPT 2833/4885RAB9A 1535/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885MAPT 2833/4885RAB9A 1535/4885

“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.