SCHEMBL8089781

SCHEMBL8089781

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.57
HDAC3 O15379 13/20 0.57
HDAC2 Q92769 13/20 0.57
NCOR1 O75376 3/20 0.53
NCOR2 Q9Y618 5/20 0.48
HDAC4 P56524 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
KDM1A O60341 1/20 0.48
CYP3A4 P08684 1/20 0.48
F3 P13726 1/20 0.48

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
SCHEMBL8076624 0.89 MDM4 (0.43) HDAC1HDAC3HDAC2NCOR1
SCHEMBL13111029 0.89 HDAC1 (0.48) HDAC1HDAC3HDAC2NCOR1HDAC4
SCHEMBL13110742 0.85 HDAC1 (0.58) HDAC1HDAC3HDAC2NCOR2HDAC4
SCHEMBL8089125 0.85 HDAC1 (0.57) HDAC1HDAC3HDAC2NCOR1NCOR2
SCHEMBL13110973 0.84 HDAC1 (0.56) HDAC1HDAC3HDAC2NCOR1NCOR2
SCHEMBL13110968 0.83 HDAC1 (0.60) HDAC1HDAC3HDAC2NCOR2HDAC4
SCHEMBL13110765 0.80 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR1NCOR2
SCHEMBL13110776 0.80 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL13110978 0.79 PTGS1 (0.53) HDAC1HDAC3HDAC2NCOR2HDAC4
SCHEMBL13110983 0.79 HDAC1 (0.62) HDAC1HDAC3HDAC2NCOR2HDAC4

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 1/4885HDAC3 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.