SCHEMBL2509739

SCHEMBL2509739

O=C(C=Cc1ccc2c(S(=O)(=O)c3ccccc3)c[nH]c2c1)NO

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 17/20 0.83
▸ HDAC8 Q9BY41 15/20 0.83
▸ HDAC2 Q92769 15/20 0.83
▸ HDAC3 O15379 14/20 0.83
▸ HDAC4 P56524 14/20 0.83
▸ HDAC6 Q9UBN7 14/20 0.83
▸ HDAC7 Q8WUI4 13/20 0.83
▸ HDAC10 Q969S8 13/20 0.83
▸ HDAC11 Q96DB2 13/20 0.83
▸ HDAC9 Q9UKV0 13/20 0.83
▸ HDAC5 Q9UQL6 13/20 0.83
▸ BRD4 O60885 1/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ HTR6 P50406 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ ASPH Q12797 1/20 0.49

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
SCHEMBL2509737 1.00 HDAC1 (0.83) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL2511491 0.91 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL2511489 0.91 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL2511494 0.88 HDAC3 (0.65) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL2511495 0.88 HDAC3 (0.65) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL2515301 0.85 HDAC3 (0.62) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL2515300 0.85 HDAC3 (0.62) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL8358020 0.83 HDAC3 (0.59) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL3566376 0.78 HDAC3 (0.51) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL29784918 0.76 HDAC1 (0.73) HDAC1HDAC8HDAC2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552887-B1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS UNIV TAIPEI MEDICAL (TW) 2018-10-24 — — EP disclosed
US-9598364-B2 Indolyl or indolinyl hydroxamate compounds TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-21 — — US disclosed
US-20140364477-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2014-12-11 — — US disclosed
US-8846748-B2 Indolyl or indolinyl hydroxamate compounds TAIPEI MEDICAL UNIVERSITY (TW) 2014-09-30 — — US disclosed
CN-102947268-A Indolyl or indolinyl hydroxamic acid compounds UNIV TAIPEI MEDICAL 2013-02-27 — — CN disclosed
EP-2552887-A2 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS Taipei Medical University (TW) 2013-02-06 — — EP disclosed
WO-2011126821-A2 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2011-10-13 — — WO disclosed
US-20110245315-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2011-10-06 — — 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 (2 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-20110245315-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS IDH3A, IDH2, IDH3B HDAC1 8/4885HDAC8 128/4885HDAC2 20/4885
US-20140364477-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS IDH3A, IDH2, IDH3B HDAC1 8/4885HDAC8 128/4885HDAC2 20/4885

“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.

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