SCHEMBL17483887

SCHEMBL17483887

O=C(/C=C/c1ccc(CN(CCF)CC23CC4CC(CC(C4)C2)C3)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 16/20 1.00
▸ HDAC3 O15379 14/20 1.00
▸ HDAC1 Q13547 12/20 1.00
▸ HDAC5 Q9UQL6 9/20 1.00
▸ HDAC8 Q9BY41 11/20 0.70
▸ HDAC2 Q92769 10/20 0.70
▸ HDAC4 P56524 7/20 0.70
▸ HDAC10 Q969S8 5/20 0.70
▸ KCNH2 Q12809 1/20 0.48
▸ HDAC11 Q96DB2 5/20 0.43
▸ HDAC7 Q8WUI4 4/20 0.43
▸ HDAC9 Q9UKV0 4/20 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
SCHEMBL19678424 0.92 HDAC6 (0.85) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL19683097 0.86 HDAC3 (0.75) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL19682900 0.85 HDAC1 (0.73) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL16653780 0.82 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL19666090 0.82 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL19678427 0.82 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL2404111 0.82 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL19666006 0.82 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL2404107 0.82 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL16653782 0.82 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC5HDAC8

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
US-20210030899-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY THE GENERAL HOSPITAL CORPORATION 2021-02-04 — — US disclosed
US-10842891-B2 Imaging histone deacetylases with a radiotracer using positron emission tomography THE GENERAL HOSPITAL CORPORATION (US) 2020-11-24 — — US disclosed
US-20190240357-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY THE GENERAL HOSPITAL CORPORATION 2019-08-08 — — US disclosed
US-10188756-B2 Imaging histone deacetylases with a radiotracer using positron emission tomography THE GENERAL HOSPITAL CORPORATION (US) 2019-01-29 — — US disclosed
US-20170349540-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION 2017-12-07 — — US disclosed
US-20170349540-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION 2017-12-07 — — US disclosed
US-20160271276-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY THE GENERAL HOSPITAL CORPORATION 2016-09-22 — — US disclosed
US-20160271276-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY THE GENERAL HOSPITAL CORPORATION 2016-09-22 — — US disclosed
WO-2016018795-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-04 — — 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 (6 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-20190240357-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY HDAC1, HDAC11, HDAC3 HDAC6 13/4885HDAC3 3/4885HDAC1 1/4885
US-10188756-B2 Imaging histone deacetylases with a radiotracer using positron emission tomography HDAC1, HDAC11, HDAC3 HDAC6 13/4885HDAC3 3/4885HDAC1 1/4885
US-20210030899-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY HDAC1, HDAC11, HDAC3 HDAC6 13/4885HDAC3 3/4885HDAC1 1/4885
US-20160271276-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY HDAC1, HDAC11, HDAC3 HDAC6 13/4885HDAC3 3/4885HDAC1 1/4885
US-20170349540-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC5 HDAC6 10/4885HDAC3 5/4885HDAC1 1/4885
US-10842891-B2 Imaging histone deacetylases with a radiotracer using positron emission tomography HDAC1, HDAC11, HDAC3 HDAC6 13/4885HDAC3 3/4885HDAC1 1/4885

“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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