SCHEMBL3048681

SCHEMBL3048681

CC(C)(C)OC(=O)C1Cn2ccc3c(C(=O)NCc4ccc(C(=O)NO)cc4)ccc(c32)CN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 9/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL3044393 0.92 NR1H4 (0.39) SMN1; SMN2MEN1CYP2C19KMT2AHTT
SCHEMBL3060172 0.92 L3MBTL1 (0.37) HDAC6HDAC1SMN1; SMN2MEN1CYP2C19
SCHEMBL3065624 0.85 P2RX3 (0.35) LMNATP53
SCHEMBL3050218 0.80 MEN1 (0.30) MEN1KMT2ANPSR1
SCHEMBL6336840 0.75
SCHEMBL3050327 0.73
SCHEMBL3059812 0.69 HTR1A (0.41) MEN1KMT2A
SCHEMBL3048678 0.68 HDAC6 (0.49) HDAC6HDAC8HDAC3HDAC1HDAC10
SCHEMBL15166829 0.66 LIPG (0.41) HDAC8MEN1KMT2A
SCHEMBL6806997 0.65 GSK3B (0.46)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US claimed
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 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-20100261710-A1 HDAC Inhibitors HDAC5, HDAC1, HDAC4 HDAC6 9/4885HDAC8 10/4885HDAC3 7/4885

“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.