SCHEMBL13110796

SCHEMBL13110796

CCOc1ccc([C@H](C)OC(=O)NCc2ccc(C(=O)Nc3ccccc3O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.50
KMT2A Q03164 4/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL8093706 0.90 NPC1 (0.44) HDAC1KMT2ARAB9AMEN1NPC1
SCHEMBL8089567 0.90 KMT2A (0.50) HDAC1KMT2ARAB9AMEN1NPC1
SCHEMBL13110747 0.89 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13110805 0.89 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13110792 0.80 HDAC1 (0.50) HDAC1KMT2ARAB9AMEN1NPC1
SCHEMBL8091517 0.80 RAB9A (0.52) HDAC1KMT2ARAB9AMEN1NPC1
SCHEMBL13110812 0.79 UTS2R (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13110850 0.79 MDM4 (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13110811 0.78 HDAC1 (0.50) HDAC1KMT2ARAB9AMEN1NPC1
SCHEMBL13110741 0.78 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7

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 1/4885KMT2A 65/4885RAB9A 2799/4885

“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.