SCHEMBL20176409

SCHEMBL20176409

COC(=O)c1cnc(N2CCCCC2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.57
CRBN Q96SW2 1/20 0.54
HDAC3 O15379 5/20 0.51
HDAC4 P56524 5/20 0.51
HDAC1 Q13547 5/20 0.51
HDAC7 Q8WUI4 5/20 0.51
HDAC2 Q92769 5/20 0.51
HDAC10 Q969S8 5/20 0.51
HDAC11 Q96DB2 5/20 0.51
HDAC8 Q9BY41 5/20 0.51
HDAC6 Q9UBN7 5/20 0.51
HDAC9 Q9UKV0 5/20 0.51
HDAC5 Q9UQL6 5/20 0.51
ALDH1A1 P00352 1/20 0.50
TMPRSS15 P98073 6/20 0.47
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL21552100 0.89 HRH3 (0.48) HRH3CRBNHDAC3HDAC4HDAC1
SCHEMBL24183659 0.87 HRH3 (0.69) HRH3CRBNTMPRSS15
SCHEMBL3159765 0.87 HRH3 (0.54) HRH3CRBNHDAC3HDAC4HDAC1
SCHEMBL4092990 0.85 CRBN (0.55) HRH3CRBNHDAC3HDAC4HDAC1
SCHEMBL4814736 0.84 HDAC3 (0.73) HRH3CRBNHDAC3HDAC4HDAC1
SCHEMBL16048417 0.84 HDAC3 (0.58) HRH3CRBNHDAC3HDAC4HDAC1
SCHEMBL14575736 0.84 ALDH1A1 (0.56) HRH3HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL5139424 0.83 HRH3 (0.56) HRH3CRBNHDAC3HDAC4HDAC1
SCHEMBL3281502 0.83 HRH3 (0.59) HRH3CRBNHDAC3HDAC4HDAC1
SCHEMBL21638175 0.82 SCD (0.53) HRH3HDAC3HDAC4HDAC1HDAC7

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-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2018-05-24 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-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HRH3 1792/4885CRBN 1018/4885HDAC3 6/4885

“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.