SCHEMBL10156196

SCHEMBL10156196

CN1C(C)(C)CC(NCCC(=O)NC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAOB P27338 2/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK8 P45983 1/20 0.33
EPHX2 P34913 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL14511469 0.92 GAA (0.35) GAAHDAC4HDAC6KDM4EMAOB
SCHEMBL8333479 0.86 POLB (0.40) HDAC4HDAC6KDM4EKMT2AHTT
SCHEMBL10444901 0.83 KDM4E (0.37) GAAHDAC4HDAC6KDM4EFLT3
SCHEMBL13298035 0.83 SMN1; SMN2 (0.47) GAAHDAC6FLT3TYRO3MERTK
SCHEMBL11046524 0.83 MAOB (0.39) GAAHDAC4HDAC6KDM4EMAOB
SCHEMBL228314 0.81 HDAC4 (0.38) GAAHDAC4HDAC6KDM4EMAOB
SCHEMBL9300620 0.81 HTT (0.41) GAAHDAC4HDAC6KDM4EMAOB
SCHEMBL13508144 0.80 GAA (0.41) GAAHDAC6KDM4ESMN1; SMN2EPHX2
SCHEMBL8771887 0.80 MAOB (0.37) GAAHDAC4HDAC6KDM4EMAOB
SCHEMBL13871636 0.79 TSHR (0.41) GAASMN1; SMN2EPHX2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8277695-B2 Reversibly thermochromic compositions BASF SE (DE) 2012-10-02 US disclosed
US-8119778-B2 Reversibly thermochromic compositions BASF SE (DE) 2012-02-21 US disclosed
US-20110180767-A1 Reversibly thermochromic compositions CIBA CORPORATION 2011-07-28 US disclosed
US-7820744-B2 Stabilizer mixtures CIBA SPECIALTY CHEMICALS CORP. (US) 2010-10-26 US disclosed
US-20100234494-A1 Reversibly thermochromic compositions CIBA CORPORATION 2010-09-16 US disclosed
US-20100048774-A1 STABILIZER MIXTURES GUGUMUS FRANCOIS 2010-02-25 US disclosed
US-20100048773-A1 AGRICULTURAL ARTICLES BONORA MICHELA 2010-02-25 US disclosed
US-7628936-B2 Mixture of steric hindred amine compound with magnesium and zinc salt; photostability; heat and oxidation resistance; for polymers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-12-08 US disclosed
US-7595008-B2 Mixture containing steric hindred amine compound with zinc and magnesium salt; photostability; heat and oxidation resistance; for polymers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-09-29 US disclosed
US-20090111917-A1 Stabilized articles BONORA MICHELA 2009-04-30 US disclosed
US-20090105379-A1 Stabilizer mixtures GUGUMUS FRANCOIS 2009-04-23 US disclosed
US-20090093572-A1 Stabilizer mixtures GUGUMUS FRANCOIS 2009-04-09 US disclosed
US-20070135537-A1 Agricultural articles BONORA MICHAEL 2007-06-14 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 (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-20100234494-A1 Reversibly thermochromic compositions CRY1, REL, CRY2 GAA 4878/4885HDAC4 2805/4885HDAC6 2649/4885
US-20110180767-A1 Reversibly thermochromic compositions C1R, C3AR1, C9 GAA 4667/4885HDAC4 3797/4885HDAC6 2159/4885

“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.