SCHEMBL2271369

SCHEMBL2271369

CC(C)(CNS(=O)(=O)CCCC#N)c1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
TP53 P04637 7/20 0.34
SMN1; SMN2 Q16637 6/20 0.34
MAPT P10636 5/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL14243878 0.82 HDAC1 (0.39) ALDH1A1HDAC1HDAC8HDAC6HDAC4
SCHEMBL14243877 0.82 HDAC1 (0.34) ALDH1A1HDAC1HDAC8HDAC6HDAC4
SCHEMBL12518796 0.82 HDAC1 (0.34) ALDH1A1HDAC1HDAC8HDAC6HDAC4
SCHEMBL2354587 0.81 HDAC4 (0.45) ALDH1A1HDAC1HDAC8HDAC6HDAC4
SCHEMBL2274396 0.81 HDAC8 (0.41) ALDH1A1HDAC1HDAC8HDAC6HDAC4
SCHEMBL2267220 0.78 HDAC8 (0.42) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL2224682 0.77 MAOA (0.36) ALDH1A1HDAC1HDAC8HDAC6TP53
SCHEMBL2224677 0.73 TP53 (0.35) ALDH1A1HDAC1HDAC8HDAC6HDAC4
SCHEMBL2221808 0.73 HDAC8 (0.37) ALDH1A1HDAC1HDAC8HDAC6HDAC4
SCHEMBL2224672 0.72 MAOA (0.38) HDAC1HDAC8HDAC6TP53SMN1; SMN2

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-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US disclosed
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US disclosed
EP-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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-20120322827-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY ALDH1A1 767/4885HDAC1 1086/4885HDAC8 2221/4885

“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.