SCHEMBL2511706

SCHEMBL2511706

O=C(C=Cc1cccc2c1ccn2S(=O)(=O)c1ccccc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 1.00
HDAC1 Q13547 11/20 1.00
HDAC2 Q92769 10/20 1.00
HDAC8 Q9BY41 8/20 1.00
HDAC3 O15379 7/20 1.00
HDAC4 P56524 7/20 1.00
HDAC7 Q8WUI4 7/20 1.00
HDAC10 Q969S8 7/20 1.00
HDAC11 Q96DB2 7/20 1.00
HDAC9 Q9UKV0 7/20 1.00
HDAC5 Q9UQL6 7/20 1.00
HTR6 P50406 7/20 0.55
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR1F P30939 1/20 0.47
HTR7 P34969 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL18649848 1.00 HDAC6 (1.00) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL2511705 1.00 HDAC6 (1.00) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL18649847 0.86 HDAC1 (0.76) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL2512626 0.86 HDAC1 (0.76) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL2512629 0.86 HDAC1 (0.76) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL8354467 0.82 HDAC3 (0.70) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL2510571 0.81 HDAC8 (0.68) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL2511481 0.81 HDAC8 (0.68) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL14070488 0.80 HDAC3 (0.66) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL7443418 0.80 HDAC3 (0.66) HDAC6HDAC1HDAC2HDAC8HDAC3

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 9 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 claimed
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 HDAC6 35/4885HDAC1 8/4885HDAC2 20/4885
US-20140364477-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS IDH3A, IDH2, IDH3B HDAC6 35/4885HDAC1 8/4885HDAC2 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.