SCHEMBL13110780

SCHEMBL13110780

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.64
HDAC2 Q92769 9/20 0.53
HDAC3 O15379 8/20 0.53
NCOR2 Q9Y618 4/20 0.53
HDAC6 Q9UBN7 4/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49

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
SCHEMBL13110834 0.90 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC6HDAC7
SCHEMBL12632924 0.88 HDAC1 (0.49) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL13110784 0.85 HDAC1 (0.56) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL13110770 0.84 HDAC1 (0.62) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL13110983 0.84 HDAC1 (0.62) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL13110782 0.80 HDAC1 (0.51) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL8348119 0.80 HDAC1 (0.70) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL13110975 0.80 HDAC1 (0.57) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL13110776 0.80 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC6HDAC7
SCHEMBL13110972 0.79 HDAC1 (0.54) HDAC1HDAC2HDAC3NCOR2HDAC6

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.