SCHEMBL22461359

SCHEMBL22461359

CC(C)(C)NC(=O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.61
HDAC7 Q8WUI4 2/20 0.61
HDAC5 Q9UQL6 2/20 0.61
HDAC3 O15379 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
NCOR2 Q9Y618 1/20 0.61
PKM P14618 1/20 0.49
POLB P06746 2/20 0.48
KCNA5 P22460 2/20 0.45
KCNH2 Q12809 2/20 0.45
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 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
SCHEMBL31653994 0.80 KCNA5 (0.48) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL10153606 0.80 KCNA5 (0.48) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL11122542 0.79 HDAC4 (0.68) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL4532733 0.76 HDAC4 (1.00) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL3704673 0.76 HDAC6 (0.63) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL409869 0.75 ALDH1A1 (0.66) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL27614723 0.75 HDAC4 (0.68) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL24004621 0.74 POLB (0.46) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL13958960 0.74 GLS (0.49) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL9667100 0.73 MEN1 (0.43) HDAC4HDAC7HDAC5HDAC3HDAC8

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-20200298194-A1 ARAMID AMPHIPHILE SELF-ASSEMBLED NANOSTRUCTURES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-09-24 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-20200298194-A1 ARAMID AMPHIPHILE SELF-ASSEMBLED NANOSTRUCTURES ANXA6, ANXA1, ANXA11 HDAC4 1593/4885HDAC7 1607/4885HDAC5 2822/4885

“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.