SCHEMBL13110784

SCHEMBL13110784

COc1cc([C@H](C)OC(=O)N[C@@H](C)c2ccc(C(=O)Nc3ccccc3N)cc2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.56
HDAC3 O15379 7/20 0.53
HDAC2 Q92769 7/20 0.53
NCOR2 Q9Y618 3/20 0.53
HDAC6 Q9UBN7 3/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
ABCB1 P08183 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47

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
SCHEMBL13110836 0.89 HDAC1 (0.46) HDAC1HDAC2HPGDNPC1RAB9A
SCHEMBL13110780 0.85 HDAC1 (0.64) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL13110969 0.83 HDAC1 (0.57) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL13110733 0.83 HDAC1 (0.57) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL13110753 0.80 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL13110986 0.78 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL2108404 0.77 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL1080608 0.77 ABCB1 (0.69) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL1059760 0.74 HDAC1 (0.66) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL1689190 0.74 HDAC1 (0.74) HDAC1HDAC3HDAC2NCOR2

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 1/4885HDAC3 2/4885HDAC2 6/4885

“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.