SCHEMBL963689

SCHEMBL963689

O=C(CCO)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.70
HDAC1 Q13547 1/20 0.70
HDAC2 Q92769 1/20 0.70
HDAC10 Q969S8 1/20 0.70
HDAC11 Q96DB2 1/20 0.70
HDAC8 Q9BY41 1/20 0.70
HDAC6 Q9UBN7 1/20 0.70
NCOR2 Q9Y618 1/20 0.70
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
MAPT P10636 5/20 0.68
GAA P10253 1/20 0.68
XBP1 P17861 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.65
RECQL P46063 1/20 0.64
ALDH1A1 P00352 3/20 0.63
LMNA P02545 1/20 0.61
POLB P06746 1/20 0.61
HTT P42858 2/20 0.60

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
SCHEMBL433736 0.88 MEN1 (0.71) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL693942 0.87 MAPT (0.72) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL31236338 0.87 MAPT (0.77) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL5142590 0.87 MAPT (0.77) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9843030 0.86 HDAC3 (0.68) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL5122417 0.86 LMNA (0.72) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL5543375 0.86 HDAC3 (0.68) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL8657567 0.86 HDAC3 (0.68) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL693941 0.84 MAPT (0.72) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL26627751 0.84 MAPT (0.72) HDAC3HDAC1HDAC2HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 EP disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 US disclosed
EP-1678168-A4 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2008-09-24 EP disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 US disclosed
EP-1678168-A2 P70S6 KINASE MODULATORS AND METHOD OF USE Exelixis, Inc. (US) 2006-07-12 EP disclosed
WO-2005039506-A2 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2005-05-06 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 (2 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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR HDAC3 648/4885HDAC1 665/4885HDAC2 1028/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR HDAC3 648/4885HDAC1 665/4885HDAC2 1028/4885

“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.