SCHEMBL22951673

SCHEMBL22951673

CN(Cc1ccc(/C=C/C(=O)Nc2ccc(-c3cccs3)cc2N)cc1)CC12CC3CC4CC(C1)C2(C4)C3

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.45
▸ HDAC2 Q92769 9/20 0.45
▸ HDAC3 O15379 8/20 0.45
▸ HDAC6 Q9UBN7 3/20 0.45
▸ HDAC5 Q9UQL6 3/20 0.45
▸ HDAC4 P56524 2/20 0.45
▸ HDAC10 Q969S8 2/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ RARB P10826 1/20 0.40
▸ KDM1A O60341 1/20 0.36
▸ CNR2 P34972 3/20 0.35

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
SCHEMBL22951034 0.89 RARB (0.48) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL18088445 0.89 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL22951078 0.86 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL17483990 0.84 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL17483982 0.83 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL18088443 0.77 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL17483930 0.76 HDAC1 (0.54) HDAC1HDAC2HDAC3
SCHEMBL17483925 0.75 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL17483983 0.74 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL19682890 0.73 HDAC1 (0.57) HDAC1HDAC2HDAC3HDAC6HDAC5

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20210030899-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC2 4/4885HDAC3 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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