SCHEMBL2229192

SCHEMBL2229192

COC(=O)c1cc(C#N)c(O)nc1C

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.71
LMNA P02545 1/20 0.64
HPGD P15428 5/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
KDM4E B2RXH2 8/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 7/20 0.57
CRHBP P24387 2/20 0.57
CRHR2 Q13324 2/20 0.57
TDP1 Q9NUW8 1/20 0.55
HSD17B10 Q99714 2/20 0.52
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL18822821 0.88 GAA (0.62) GAALMNAHPGDCYP1A2CYP3A4
SCHEMBL16616673 0.85 KDM4E (0.72) GAALMNAHPGDKDM4ESMN1; SMN2
SCHEMBL2227187 0.83 GAA (0.69) GAALMNAHPGDCYP1A2CYP3A4
SCHEMBL23120406 0.82 GAA (0.48) GAALMNAHPGDCYP1A2CYP2C9
SCHEMBL10461860 0.82 ALDH1A1 (0.60) GAAHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL16616148 0.81 GAA (0.51) GAALMNAHPGDCYP1A2CYP3A4
SCHEMBL29795690 0.80 KDM4E (0.66) GAALMNAHPGDCYP1A2CYP3A4
SCHEMBL16616416 0.80 GAA (0.51) GAALMNAHPGDCYP1A2CYP3A4
SCHEMBL16624282 0.80 KDM4E (0.52) GAALMNAHPGDCYP1A2CYP3A4
SCHEMBL4738002 0.79 GAA (0.51) GAALMNAHPGDCYP1A2CYP3A4

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 12 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 disclosed
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-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
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088181-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 (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 GAA 1373/4885LMNA 26/4885HPGD 2739/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY GAA 1373/4885LMNA 26/4885HPGD 2739/4885

“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.