SCHEMBL2225264

SCHEMBL2225264

O=C(NCc1ccc(F)cc1)c1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.57
HDAC1 Q13547 6/20 0.57
ACKR3 P25106 1/20 0.54
HDAC4 P56524 3/20 0.54
HDAC3 O15379 2/20 0.54
PTPN2 P17706 1/20 0.53
PTPN11 Q06124 1/20 0.53
LMNA P02545 1/20 0.52
ESRRG P62508 1/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
MLYCD O95822 2/20 0.46
AKT3 Q9Y243 1/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2226435 0.94 HDAC6 (0.57) HDAC6HDAC1ACKR3HDAC4HDAC3
SCHEMBL2227293 0.90 HDAC6 (0.60) HDAC6HDAC1ACKR3HDAC4HDAC3
SCHEMBL2203603 0.82 HDAC1 (0.77) HDAC6HDAC1HDAC4HDAC3LMNA
SCHEMBL3093069 0.82 HDAC6 (0.67) HDAC6HDAC1ACKR3HDAC4HDAC3
SCHEMBL3081835 0.81 HPGD (0.47) HDAC6HDAC1HDAC4HDAC3LMNA
SCHEMBL3081838 0.81 HPGD (0.47) HDAC6HDAC1HDAC4HDAC3LMNA
SCHEMBL3092917 0.77 HDAC6 (0.49) HDAC6HDAC1ACKR3HDAC4HDAC3
SCHEMBL3092930 0.77 HDAC6 (0.49) HDAC6HDAC1ACKR3HDAC4HDAC3
SCHEMBL6077802 0.76 L3MBTL1 (0.77) HDAC6HDAC1HDAC3LMNAL3MBTL1
SCHEMBL4919795 0.76 L3MBTL1 (0.60) HDAC6HDAC1ACKR3HDAC4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP claimed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US claimed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO claimed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP claimed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO claimed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2013009830-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO disclosed
WO-2013009810-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC6 1474/4885HDAC1 640/4885ACKR3 594/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC6 1474/4885HDAC1 640/4885ACKR3 594/4885

“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.