SCHEMBL13110856

SCHEMBL13110856

O=C(NCc1ccc(C(=O)Nc2ccccc2S)cc1)O[C@@H](CCC1CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.43
HDAC2 Q92769 7/20 0.43
HDAC3 O15379 3/20 0.43
MAPK14 Q16539 1/20 0.42
MTTP P55157 1/20 0.42
GPR35 Q9HC97 1/20 0.40
MAOA P21397 1/20 0.40
NAMPT P43490 1/20 0.40
PTGS1 P23219 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
MDM4 O15151 2/20 0.39
TP53 P04637 2/20 0.39
UTS2R Q9UKP6 1/20 0.39
MDM2 Q00987 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL13110806 0.92 HDAC1 (0.45) HDAC1HDAC2HDAC3MAPK14MTTP
SCHEMBL13110748 0.91 HDAC1 (0.54) HDAC1HDAC2HDAC3PTGS1HDAC8
SCHEMBL13110854 0.80 UTS2R (0.45) HDAC1HDAC2HDAC3MDM4TP53
SCHEMBL8084513 0.79 HDAC1 (0.42) HDAC1HDAC2HDAC3MAPK14MEN1
SCHEMBL13111067 0.79 HDAC1 (0.47) HDAC1HDAC2HDAC3MDM4TP53
SCHEMBL13111073 0.79 TRPV1 (0.41) HDAC1HDAC2HDAC3MTTPPTGS1
SCHEMBL13110844 0.78 HDAC1 (0.47) HDAC1HDAC2HDAC3MDM4TP53
SCHEMBL13110843 0.76 HDAC1 (0.43) HDAC1HDAC2HDAC3MDM4TP53
SCHEMBL8088353 0.76 HDAC1 (0.43) HDAC1HDAC2HDAC3MDM4TP53
SCHEMBL8078209 0.75 HDAC1 (0.43) HDAC1HDAC2HDAC3NAMPTMDM4

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.