SCHEMBL17457481

SCHEMBL17457481

CN(C)c1ccc(N=Nc2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.67
HDAC2 Q92769 9/20 0.67
HDAC3 O15379 4/20 0.66
HDAC4 P56524 2/20 0.65
HDAC7 Q8WUI4 2/20 0.65
HDAC10 Q969S8 2/20 0.65
HDAC11 Q96DB2 2/20 0.65
HDAC8 Q9BY41 2/20 0.65
HDAC6 Q9UBN7 2/20 0.65
HDAC9 Q9UKV0 2/20 0.65
HDAC5 Q9UQL6 2/20 0.65
KCNH2 Q12809 1/20 0.64

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
SCHEMBL30267926 1.00 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17457480 1.00 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29628887 0.89 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17472002 0.89 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL25110338 0.88 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17472418 0.84 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17457473 0.84 HDAC2 (0.65) HDAC1HDAC2HDAC3
SCHEMBL17457471 0.84 HDAC2 (0.65) HDAC1HDAC2HDAC3
SCHEMBL1066862 0.83 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2209850 0.82 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970107-B1 PHOTOSWITCHABLE HDAC INHIBITORS MASSACHUSETTS GEN HOSPITAL (US) 2023-11-15 EP disclosed
US-11596691-B2 Photoswitchable HDAC inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2023-03-07 US disclosed
US-20210162048-A1 Photoswitchable HDAC Inhibitors THE GENERAL HOSPITAL CORPORATION 2021-06-03 US disclosed
US-10828367-B2 Photoswitchable HDAC inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2020-11-10 US disclosed
US-20190070295-A1 Photoswitchable HDAC Inhibitors THE GENERAL HOSPITAL CORPORATION 2019-03-07 US disclosed
US-9981038-B2 Photoswitchable HDAC inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2018-05-29 US disclosed
US-20160022817-A1 Photoswitchable HDAC Inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2016-01-28 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 (5 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-20190070295-A1 Photoswitchable HDAC Inhibitors HDAC4, HDAC1, HDAC3 HDAC1 2/4885HDAC2 7/4885HDAC3 3/4885
US-20160022817-A1 Photoswitchable HDAC Inhibitors HDAC1, HDAC4, HDAC3 HDAC1 1/4885HDAC2 4/4885HDAC3 3/4885
US-20210162048-A1 Photoswitchable HDAC Inhibitors HDAC4, HDAC1, HDAC3 HDAC1 2/4885HDAC2 7/4885HDAC3 3/4885
US-11596691-B2 Photoswitchable HDAC inhibitors HDAC4, HDAC1, HDAC3 HDAC1 2/4885HDAC2 7/4885HDAC3 3/4885
US-10828367-B2 Photoswitchable HDAC inhibitors HDAC4, HDAC1, HDAC3 HDAC1 2/4885HDAC2 7/4885HDAC3 3/4885

“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.