SCHEMBL2225540

SCHEMBL2225540

CC(C)(C#N)c1nc(-c2ccc(C(F)(F)F)cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GSTO1 P78417 2/20 0.45
MYC P01106 1/20 0.45
WDR5 P61964 1/20 0.45
ALOX5 P09917 1/20 0.44
KIT P10721 1/20 0.44
GAA P10253 1/20 0.43
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MRE11 P49959 1/20 0.41
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
KDM1A O60341 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2225993 0.85 RAB9A (0.50) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13118019 0.83 LTA4H (0.54) LTA4HL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL2228103 0.82 RAB9A (0.49) LTA4HL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL2228668 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL2225700 0.77 LTA4H (0.55) LTA4HL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL2406442 0.77 POLB (0.59) LTA4HL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL2226326 0.77 MAPT (0.36) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2225749 0.72 L3MBTL1 (0.53) LTA4HL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL15160564 0.72 KDM4E (0.71) LTA4HL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL25140728 0.72 LTA4H (0.58) LTA4HL3MBTL1ALDH1A1KDM4EMEN1

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 15 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-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
CN-103221047-B Compounds and methods TEMPERO PHARMACEUTICALS INC 2014-12-17 CN 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
CN-103221047-A Compounds and methods TEMPERO PHARMACEUTICALS INC 2013-07-24 CN 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 LTA4H 814/4885L3MBTL1 499/4885ALDH1A1 1152/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY LTA4H 814/4885L3MBTL1 499/4885ALDH1A1 1152/4885

“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.