SCHEMBL4896716

SCHEMBL4896716

O=C(NNc1nccc(C(F)(F)F)n1)c1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
NCOR2 Q9Y618 1/20 0.49
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
TAS2R14 Q9NYV8 1/20 0.46
GAA P10253 1/20 0.46
SYK P43405 11/20 0.44
NCOR1 O75376 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PKM P14618 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
SCHEMBL4745429 0.91 HDAC6 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4744989 0.83 HDAC6 (0.59) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL14025812 0.76 PKM (0.47) HDAC3HDAC1HDAC8HDAC6TAS2R14
SCHEMBL4888218 0.75 HDAC3 (0.56) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL17675324 0.73 SYK (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4749020 0.72 HDAC6 (0.66) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL14025742 0.71 NAMPT (0.52) SYKPKM
SCHEMBL1861286 0.71 GAA (0.55) TAS2R14GAA
SCHEMBL14005231 0.70 HDAC6 (0.61) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL13879819 0.70 PKM (0.52) HDAC1HDAC8HDAC6SYKPKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 HDAC3 1391/4885HDAC1 803/4885HDAC2 2672/4885

“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.