SCHEMBL8094966

SCHEMBL8094966

CC[C@H](c1ccc(NC)cc1)N(CCO)C(=O)OCc1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.47
HDAC2 Q92769 11/20 0.46
HDAC3 O15379 11/20 0.46
NCOR2 Q9Y618 5/20 0.43
NCOR1 O75376 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL13110932 0.89 HDAC1 (0.49) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL13110941 0.84 HDAC1 (0.48) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL13110973 0.79 HDAC1 (0.56) HDAC1HDAC2HDAC3NCOR2NCOR1
SCHEMBL13110895 0.78 HDAC1 (0.50) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL13111100 0.78 PTGS1 (0.48) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL13110903 0.76 HDAC1 (0.46) HDAC1HDAC2HDAC3NCOR2NCOR1
SCHEMBL13110913 0.75 HDAC1 (0.45) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL13110939 0.73 HDAC1 (0.59) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL10373334 0.72 HDAC1 (0.71) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL13111107 0.72 HDAC1 (0.44) HDAC1HDAC2HDAC3NCOR2NCOR1

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 3 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
WO-2009015237-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 WO 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.