SCHEMBL13111100

SCHEMBL13111100

Nc1ccccc1NC(=O)c1ccc(COC(=O)N(CCO)[C@@H](CCC2CC2)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.48
HDAC1 Q13547 16/20 0.43
HDAC2 Q92769 7/20 0.43
HDAC3 O15379 5/20 0.43
HDAC8 Q9BY41 1/20 0.42
NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL13110978 0.81 PTGS1 (0.53) PTGS1HDAC1HDAC2HDAC3HDAC8
SCHEMBL13110901 0.80 PTGS1 (0.48) PTGS1HDAC1HDAC2HDAC3HDAC8
SCHEMBL13110932 0.78 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC8NCOR2
SCHEMBL8094966 0.78 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC8NCOR2
SCHEMBL13110903 0.74 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC8NCOR2
SCHEMBL13110748 0.74 HDAC1 (0.54) PTGS1HDAC1HDAC2HDAC3HDAC8
SCHEMBL13110941 0.74 HDAC1 (0.48) HDAC1HDAC2HDAC3HDAC8NCOR2
SCHEMBL13111073 0.72 TRPV1 (0.41) PTGS1HDAC1HDAC2HDAC3
SCHEMBL13111012 0.72 HDAC1 (0.43) PTGS1HDAC1HDAC2HDAC3HDAC8
SCHEMBL13110905 0.71 HDAC1 (0.46) PTGS1HDAC1HDAC2HDAC3HDAC8

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 PTGS1 2596/4885HDAC1 1/4885HDAC2 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.