SCHEMBL13110792

SCHEMBL13110792

CC[C@H](OC(=O)NCc1ccc(C(=O)Nc2ccccc2O)cc1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.50
HDAC2 Q92769 6/20 0.50
HDAC3 O15379 5/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
UTS2R Q9UKP6 1/20 0.40

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
SCHEMBL13110843 0.90 HDAC1 (0.43) HDAC1HDAC2HDAC3HDAC11HDAC6
SCHEMBL13110800 0.89 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC11HDAC6
SCHEMBL13110737 0.89 HDAC1 (0.57) HDAC1HDAC2HDAC3HDAC11HDAC6
SCHEMBL13110811 0.84 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC11HDAC6
SCHEMBL13110793 0.83 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC11HDAC6
SCHEMBL13110805 0.81 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC11HDAC6
SCHEMBL13110796 0.80 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC11HDAC6
SCHEMBL8088353 0.80 HDAC1 (0.43) HDAC1HDAC2HDAC3HDAC11HDAC6
SCHEMBL8093787 0.80 HDAC1 (0.48) HDAC1HDAC2HDAC3HDAC11HDAC6
SCHEMBL8093782 0.80 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC11HDAC6

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-20100267779-A1 Novel Compounds and Methods of Using Them SYNDAX PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-20100267779-A1 Novel Compounds and Methods of Using Them SYNDAX PHARMACEUTICALS, INC. (US) 2010-10-21 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-20100267779-A1 Novel Compounds and Methods of Using Them HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC2 6/4885HDAC3 2/4885

“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.