SCHEMBL25932104

SCHEMBL25932104

COC(=O)c1cccc2c1CN(c1nc3ccc(C)cc3[nH]1)C2

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 7/20 0.59
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
LMNA P02545 3/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 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
SCHEMBL25932103 0.89 HDAC11 (0.76) HDAC11NPC1RAB9AHDAC6
SCHEMBL21496773 0.86 HDAC11 (0.79) HDAC11HDAC6
SCHEMBL25932254 0.82 HDAC11 (0.53) HDAC11HDAC6
SCHEMBL21496674 0.79 HDAC11 (0.55) HDAC11HDAC6
SCHEMBL21496747 0.78 HDAC11 (0.59) HDAC11HDAC6
SCHEMBL21496714 0.76 HDAC11 (0.52) HDAC11RAB9AHDAC6PRMT5WDR77
SCHEMBL21496807 0.74 HDAC11 (1.00) HDAC11HDAC6
SCHEMBL30038158 0.74 HDAC11 (1.00) HDAC11HDAC6
SCHEMBL21500450 0.74 HDAC11 (1.00) HDAC11HDAC6
SCHEMBL25932303 0.73 HDAC11 (0.53) HDAC11NPC1RAB9A

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-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 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-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885NPC1 1706/4885RAB9A 4087/4885

“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.