SCHEMBL3352898

SCHEMBL3352898

O=S(=O)(c1ccccc1)N1CCc2cc(Br)cnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.48
PKM P14618 3/20 0.47
JAK2 O60674 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
HTR6 P50406 7/20 0.44
DRD3 P35462 6/20 0.44
HRH3 Q9Y5N1 1/20 0.44
DRD2 P14416 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43

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
SCHEMBL13217157 0.90 MMP2 (0.45) CYP11B1PKMJAK2ALDH1A1MCOLN3
SCHEMBL17165071 0.90 CYP11B1 (0.52) CYP11B1PKMJAK2ALDH1A1MCOLN3
SCHEMBL17165088 0.87 KMT2A (0.51) CYP11B1PKMJAK2ALDH1A1MCOLN3
SCHEMBL17165060 0.87 KMT2A (0.51) CYP11B1PKMJAK2ALDH1A1MCOLN3
SCHEMBL17165084 0.86 CYP11B1 (0.52) CYP11B1PKMJAK2ALDH1A1MCOLN3
SCHEMBL17165101 0.86 CYP11B1 (0.49) CYP11B1PKMJAK2ALDH1A1MCOLN3
SCHEMBL17165086 0.84 PKM (0.43) CYP11B1PKMJAK2ALDH1A1MCOLN3
SCHEMBL13005132 0.84 CYP11B1 (0.48) CYP11B1PKMJAK2ALDH1A1MCOLN3
SCHEMBL9908323 0.84 CYP11B1 (0.48) CYP11B1PKMJAK2ALDH1A1MCOLN3
SCHEMBL17173462 0.84 CYP11B1 (0.54) CYP11B1PKMMEN1KMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001354-B Histone deacetylase inhibitors 台北医学大学 2021-06-22 CN disclosed
US-10246455-B2 Histone deacetylase inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2019-04-02 US disclosed
US-10246455-B2 Histone deacetylase inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2019-04-02 US disclosed
US-20170057956-A1 HISTONE DEACETYLASE INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-02 US disclosed
US-20170057956-A1 HISTONE DEACETYLASE INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-02 US disclosed
US-20170057956-A1 HISTONE DEACETYLASE INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-02 US disclosed
EP-3129373-A1 HISTONE DEACETYLASE INHIBITORS Taipei Medical University (TW) 2017-02-15 EP disclosed
WO-2015157504-A1 HISTONE DEACETYLASE INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2015-10-15 WO disclosed
WO-2015157504-A1 HISTONE DEACETYLASE INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2015-10-15 WO disclosed
EP-1633750-B1 SYNTHESIS OF 5-SUBSTITUTED 7-AZAINDOLES AND 7-AZAINDOLINES EISAI R&D MAN CO LTD (JP) 2010-12-01 EP disclosed
US-7652137-B2 Substitued azaindoline intermediate for use in the manufacture of 5-substituted 7-azaindolines and 5-substituted 7-azaindoles; pharmaceutical intermediates EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-26 US disclosed
US-7652137-B2 Substitued azaindoline intermediate for use in the manufacture of 5-substituted 7-azaindolines and 5-substituted 7-azaindoles; pharmaceutical intermediates EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-26 US disclosed
US-20060235042-A1 Synthesis EISAI CO., LTD. (JP) 2006-10-19 US disclosed
EP-1633750-A2 SYNTHESIS OF 5-SUBSTITUTED 7-AZAINDOLES AND 7-AZAINDOLINES Eisai Co., Ltd. (JP) 2006-03-15 EP disclosed
WO-2004078757-A2 SYNTHESIS OF 5-SUBSTITUTED 7-AZAINDOLES AND 7-AZAIDONINES EISAI CO., LTD. (JP) 2004-09-16 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 (3 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-10246455-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC5 CYP11B1 480/4885PKM 908/4885JAK2 1636/4885
US-20060235042-A1 Synthesis AZI2, CYP3A5, CYP3A7 CYP11B1 211/4885PKM 2984/4885JAK2 1555/4885
US-20170057956-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC5 CYP11B1 480/4885PKM 908/4885JAK2 1636/4885

“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.