SCHEMBL25932190

SCHEMBL25932190

COC(=O)c1cccc2c1CN(c1nc3nc(C)ccc3o1)C2(C)C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 9/20 0.59
HDAC8 Q9BY41 2/20 0.37
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 2/20 0.33
TRPA1 O75762 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TOP2A P11388 2/20 0.31
SHMT2 P34897 1/20 0.31

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
SCHEMBL25932189 0.88 HDAC11 (0.76) HDAC11HDAC8CHRM4CHRM5CHRM1
SCHEMBL21496718 0.87 HDAC11 (0.56) HDAC11HDAC8
SCHEMBL21496843 0.83 HDAC11 (0.58) HDAC11HDAC8KDM4ENPC1RAB9A
SCHEMBL21496703 0.80 HDAC11 (0.54) HDAC11HDAC8KDM4E
SCHEMBL21496702 0.79 HDAC11 (0.81) HDAC11HDAC8
SCHEMBL25932180 0.78 HDAC11 (0.52) HDAC11HDAC8KDM4ETRPA1
SCHEMBL21496707 0.76 HDAC11 (0.71) HDAC11HDAC8
SCHEMBL21496653 0.75 HDAC11 (0.56) HDAC11HDAC8
SCHEMBL21500610 0.74 HDAC11 (1.00) HDAC11HDAC8KDM4E
SCHEMBL30038153 0.74 HDAC11 (1.00) HDAC11HDAC8KDM4E

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 4/4885HDAC8 9/4885CHRM4 3265/4885

“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.