Sugi Predict

Sugi Predict / Compounds / SCHEMBL237412

SCHEMBL237412

SCHEMBL237412

O=[N+]([O-])c1cc([C@H]2CC[C@H](c3cc([N+](=O)[O-])c(Cl)cc3F)N2c2cc(F)c(N3CCC(c4ccc(F)cc4)CC3)c(F)c2)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.37
▸ TDP1 Q9NUW8 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ FAAH O00519 3/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ AOC3 Q16853 1/20 0.32
▸ LMNA P02545 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 0.93 MAPT (0.39) MAPTTDP1MAPK1ALDH1A1POLB
SCHEMBL2279743 0.92 MAPT (0.35) MAPTTDP1MAPK1ALDH1A1AOC3
SCHEMBL240764 0.91 GRM2 (0.39) MAPTTDP1MAPK1ALDH1A1
SCHEMBL240686 0.89 MAPT (0.36) MAPTTDP1MAPK1ALDH1A1POLB
SCHEMBL238392 0.88 MAPT (0.36) MAPTTDP1MAPK1ALDH1A1LMNA
SCHEMBL241269 0.85 ALDH1A1 (0.37) MAPTALDH1A1CYP2C9CYP2C19LMNA
SCHEMBL240260 0.85 ALDH1A1 (0.37) MAPTALDH1A1CYP2C9CYP2C19LMNA
SCHEMBL240305 0.85 ALDH1A1 (0.39) MAPTMAPK1ALDH1A1POLBCYP2C9
SCHEMBL238468 0.85 ALDH1A1 (0.39) MAPTMAPK1ALDH1A1POLBCYP2C9
SCHEMBL237569 0.84 MAPT (0.36) MAPTTDP1MAPK1ALDH1A1LMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 — — EP claimed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 — — US claimed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 — — US disclosed
US-20210171506-A1 Process for Manufacturing Pibrentasvir Active Drug Substance ABBVIE INC. (US) 2021-06-10 — — US disclosed
CN-112638368-A Process for the manufacture of piretavir active pharmaceutical substance 艾伯维公司 2021-04-09 — — CN 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-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 (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 2833/4885TDP1 3922/4885MAPK1 2093/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885TDP1 3922/4885MAPK1 2093/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885TDP1 3922/4885MAPK1 2093/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885TDP1 3922/4885MAPK1 2093/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885TDP1 3922/4885MAPK1 2093/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885TDP1 3922/4885MAPK1 2093/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885TDP1 3922/4885MAPK1 2093/4885
US-20210171506-A1 Process for Manufacturing Pibrentasvir Active Drug Substance CYP3A5, CYP3A4, HAVCR2 MAPT 855/4885TDP1 3591/4885MAPK1 1792/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885TDP1 3922/4885MAPK1 2093/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885TDP1 3922/4885MAPK1 2093/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885TDP1 3922/4885MAPK1 2093/4885

“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.