SCHEMBL4435818

SCHEMBL4435818

CC(C(=O)N(C)C)c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MTOR P42345 1/20 0.42
AOC3 Q16853 1/20 0.42
HPGD P15428 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL7395276 0.82 HDAC4 (0.53) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL2183822 0.80 PTGS1 (0.59) MEN1KMT2AHDAC4HDAC7HDAC5
SCHEMBL8136359 0.80 PTGS1 (0.59) MEN1KMT2AHDAC4HDAC7HDAC5
SCHEMBL8136361 0.80 PTGS1 (0.59) MEN1KMT2AHDAC4HDAC7HDAC5
SCHEMBL15695561 0.80 HDAC4 (0.51) MEN1KMT2AHDAC4HDAC7HDAC5
SCHEMBL11460560 0.80 AKR1C3 (0.43)
SCHEMBL8498061 0.79 HDAC4 (0.50) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL3886825 0.79 EPHX1 (0.50) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL30631966 0.79 EPHX1 (0.50) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL18205086 0.79 PTGS1 (0.57) MEN1KMT2AHDAC4HDAC7HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 MEN1 3527/4885KMT2A 3992/4885HDAC4 3085/4885

“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.