SCHEMBL23809233

SCHEMBL23809233

CC(C)c1cn(C)c2ccc(C(=O)NO)cc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.45
HDAC1 Q13547 5/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC2 Q92769 1/20 0.45
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
SCN9A Q15858 2/20 0.41
CMA1 P23946 2/20 0.39

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
SCHEMBL12607920 0.88 MTNR1A (0.50) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL12565589 0.84 HDAC6 (0.44) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL1554607 0.84 ACE2 (0.51) MTNR1AMTNR1B
SCHEMBL1554429 0.83 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL23809275 0.83 HASPIN (0.53) CMA1
SCHEMBL1553090 0.82 MTNR1A (0.42) MTNR1AMTNR1BSCN9ACMA1
SCHEMBL23809393 0.82 KDM4E (0.46) MTNR1AMTNR1B
SCHEMBL23809408 0.81 GAA (0.47) CMA1
SCHEMBL23809488 0.81 KDM4E (0.49)
SCHEMBL15039164 0.81 SCN9A (0.49) HDAC6HDAC1HDAC8HDAC3HDAC2

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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 HDAC6 275/4885HDAC1 358/4885HDAC8 849/4885

“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.