SCHEMBL17933615

SCHEMBL17933615

CN1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6cccc(OCCCC(=O)NCCCNCCNCCCNC(=O)CCCOc7cccc(-c8nc9ccc(-c%10nc%11cc(N%12CCN(C)CC%12)ccc%11[nH]%10)cc9[nH]8)c7)c6)[nH]c5c4)nc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.56
HDAC4 P56524 12/20 0.56
HDAC1 Q13547 12/20 0.56
HDAC7 Q8WUI4 12/20 0.56
HDAC2 Q92769 12/20 0.56
HDAC10 Q969S8 12/20 0.56
HDAC11 Q96DB2 12/20 0.56
HDAC8 Q9BY41 12/20 0.56
HDAC6 Q9UBN7 12/20 0.56
HDAC9 Q9UKV0 12/20 0.56
HDAC5 Q9UQL6 12/20 0.56
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.50
SLCO2B1 O94956 1/20 0.50
GLA P06280 1/20 0.50

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
SCHEMBL19493233 0.99 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17933617 0.99 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17933707 0.96 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17933616 0.95 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17933708 0.95 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17929549 0.92 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20653714 0.91 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24233380 0.91 ALDH1A1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24233382 0.91 ALDH1A1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24233369 0.90 ALDH1A1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20160206753-A1 MODULARLY ASSEMBLED SMALL MOLECULES FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-07-21 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-20160206753-A1 MODULARLY ASSEMBLED SMALL MOLECULES FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 EMG1, HNRNPA1, SNRPE HDAC3 821/4885HDAC4 1424/4885HDAC1 400/4885

“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.