SCHEMBL2223217

SCHEMBL2223217

O=C(CCCc1ccc(C(=O)C(F)(F)F)s1)NCCc1nc(-c2ccc(F)cc2)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.45
HDAC6 Q9UBN7 7/20 0.45
HDAC4 P56524 6/20 0.45
DDX3X O00571 1/20 0.40
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC2 Q92769 2/20 0.36
POLB P06746 1/20 0.35
ROCK2 O75116 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL14297327 0.91 HPGD (0.40) HDAC1HDAC6HDAC4DDX3XLMNA
SCHEMBL12517101 0.84 HDAC6 (0.42) HDAC1HDAC6HDAC4DDX3XLMNA
SCHEMBL14243944 0.80 LMNA (0.45) HDAC1HDAC6HDAC4LMNAHDAC3
SCHEMBL2270409 0.79 HDAC6 (0.45) HDAC1HDAC6HDAC4DDX3XHDAC3
SCHEMBL14297321 0.76 HPGD (0.38) HDAC1HDAC6HDAC4DDX3XLMNA
SCHEMBL12518608 0.74 HDAC6 (0.37) HDAC1HDAC6HDAC4LMNASMN1; SMN2
SCHEMBL14243906 0.72 HDAC1 (0.41) HDAC1HDAC6HDAC4LMNASMN1; SMN2
SCHEMBL2274422 0.72 HDAC6 (0.42) HDAC1HDAC6HDAC4DDX3XHDAC8
SCHEMBL14297312 0.69 GAA (0.44) HDAC1HDAC6LMNAHDAC8TP53
SCHEMBL12517105 0.69 HDAC6 (0.36) HDAC1HDAC6HDAC4LMNASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US claimed
WO-2013009812-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC (US) 2013-01-17 WO disclosed
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 HDAC1 1086/4885HDAC6 1991/4885HDAC4 2086/4885

“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.