SCHEMBL12426306

SCHEMBL12426306

COc1ccc(/C=C/C(=O)NO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 5/20 1.00
▸ HDAC1 Q13547 4/20 1.00
▸ HDAC3 O15379 3/20 1.00
▸ HDAC2 Q92769 3/20 1.00
▸ HDAC6 Q9UBN7 3/20 1.00
▸ HDAC4 P56524 2/20 0.90
▸ HDAC7 Q8WUI4 1/20 0.90
▸ HDAC10 Q969S8 1/20 0.90
▸ HDAC11 Q96DB2 1/20 0.90
▸ HDAC9 Q9UKV0 1/20 0.90
▸ HDAC5 Q9UQL6 1/20 0.90
▸ GSK3B P49841 1/20 0.71
▸ F3 P13726 2/20 0.70
▸ THRB P10828 2/20 0.68
▸ ATM Q13315 1/20 0.68
▸ TAS1R3 Q7RTX0 2/20 0.67
▸ TAS1R1 Q7RTX1 2/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.65

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
SCHEMBL14244673 1.00 HDAC8 (1.00) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL3292536 0.95 HDAC8 (1.00) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL3292542 0.95 HDAC8 (1.00) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL1321123 0.91 HDAC3 (0.82) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL1321125 0.91 HDAC3 (0.82) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL11707965 0.89 HDAC3 (0.80) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL11707977 0.89 HDAC3 (0.80) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL13253697 0.87 HDAC3 (0.77) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL459670 0.86 HDAC3 (0.75) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL459669 0.86 HDAC3 (0.75) HDAC8HDAC1HDAC3HDAC2HDAC6

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 13 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-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
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 — — US disclosed
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 — — US disclosed
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 — — US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 — — US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 — — US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 — — US disclosed
WO-2011103189-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA UWM RESEARCH FOUNDATION, INC. (US) 2011-08-25 — — 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 HDAC8 7/4885HDAC1 1/4885HDAC3 3/4885
US-10188756-B2 Imaging histone deacetylases with a radiotracer using positron emission tomography HDAC1, HDAC11, HDAC3 HDAC8 7/4885HDAC1 1/4885HDAC3 3/4885
US-20210030899-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY HDAC1, HDAC11, HDAC3 HDAC8 7/4885HDAC1 1/4885HDAC3 3/4885
US-20160271276-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY HDAC1, HDAC11, HDAC3 HDAC8 7/4885HDAC1 1/4885HDAC3 3/4885
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA PGLS, RRS1, MRPL21 HDAC8 3068/4885HDAC1 3651/4885HDAC3 2208/4885
US-10842891-B2 Imaging histone deacetylases with a radiotracer using positron emission tomography HDAC1, HDAC11, HDAC3 HDAC8 7/4885HDAC1 1/4885HDAC3 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.

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