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Sugi Predict / Compounds / SCHEMBL3420385

SCHEMBL3420385

SCHEMBL3420385

COC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(C)c1cc(COS(C)(=O)=O)cc(COS(C)(=O)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ LMNA P02545 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HTT P42858 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
SCHEMBL13223987 0.87 LTA4H (0.36) HDAC8MEN1KMT2ATDP1ALDH1A1
SCHEMBL15308048 0.83 KMT2A (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3415116 0.83 KMT2A (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15307919 0.82 LTA4H (0.34) HDAC8MEN1KMT2ATDP1ALDH1A1
SCHEMBL13224296 0.81 KMT2A (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3411514 0.81 DYRK1A (0.36) HDAC8KMT2ATDP1ALDH1A1LMNA
SCHEMBL13224042 0.80 ALDH1A1 (0.39) KMT2AALDH1A1KDM4E
SCHEMBL15307918 0.76 ALDH1A1 (0.36) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL13008126 0.74 IDO1 (0.42) KMT2ATDP1ALDH1A1LMNAKDM4E
SCHEMBL22508201 0.72 F2 (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11505617-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2022-11-22 — — US disclosed
US-20210238301-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2021-08-05 — — US disclosed
US-10947315-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2021-03-16 — — US disclosed
US-20190276552-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2019-09-12 — — US disclosed
US-10208127-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2019-02-19 — — US disclosed
US-20180355055-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2018-12-13 — — US disclosed
EP-3100745-B1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2018-04-18 — — EP disclosed
US-20180079823-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2018-03-22 — — US disclosed
US-20170183419-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-06-29 — — US disclosed
US-9550787-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2017-01-24 — — US disclosed
US-9265841-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2016-02-23 — — US disclosed
US-20150030616-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2015-01-29 — — US disclosed
US-8809320-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2014-08-19 — — US disclosed
US-8802667-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2014-08-12 — — US disclosed
US-20130302357-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2013-11-14 — — US disclosed
US-20130266596-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2013-10-10 — — US disclosed
US-8426402-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2013-04-23 — — US disclosed
EP-2393362-A1 NOVEL BENZODIAZEPINE DERIVATIVES Immunogen, Inc. (US) 2011-12-14 — — EP disclosed
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC. (US) 2010-08-12 — — US disclosed
WO-2010091150-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2010-08-12 — — WO 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 (12 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-20130266596-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 HDAC3 220/4885HDAC4 671/4885HDAC1 849/4885
US-20210238301-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 HDAC3 220/4885HDAC4 671/4885HDAC1 849/4885
US-20180355055-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 HDAC3 220/4885HDAC4 671/4885HDAC1 849/4885
US-10208127-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 HDAC3 229/4885HDAC4 733/4885HDAC1 935/4885
US-20190276552-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 HDAC3 220/4885HDAC4 671/4885HDAC1 849/4885
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 HDAC3 220/4885HDAC4 671/4885HDAC1 849/4885
US-20170183419-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 HDAC3 220/4885HDAC4 671/4885HDAC1 849/4885
US-11505617-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 HDAC3 229/4885HDAC4 733/4885HDAC1 935/4885
US-20150030616-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 HDAC3 220/4885HDAC4 671/4885HDAC1 849/4885
US-20130302357-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 HDAC3 220/4885HDAC4 671/4885HDAC1 849/4885
US-10947315-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 HDAC3 229/4885HDAC4 733/4885HDAC1 935/4885
US-20180079823-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 HDAC3 220/4885HDAC4 671/4885HDAC1 849/4885

“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.