SCHEMBL2225564

SCHEMBL2225564

CC(C)(CN)c1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.54
ALDH1A1 P00352 2/20 0.54
ALOX5 P09917 1/20 0.54
NPC1 O15118 7/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATP4A P20648 2/20 0.46
ATP4B P51164 2/20 0.46
AR P10275 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
NPY5R Q15761 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6976477 0.88 LTA4H (0.53) RAB9AALDH1A1ALOX5NPC1L3MBTL1
SCHEMBL2225700 0.85 LTA4H (0.55) ALDH1A1ALOX5L3MBTL1ATP4AATP4B
SCHEMBL2225766 0.85 MEN1 (0.39) RAB9AALDH1A1ALOX5NPC1CASP3
SCHEMBL2225043 0.85 RAB9A (0.49) RAB9AALDH1A1ALOX5NPC1L3MBTL1
SCHEMBL2225642 0.84 ALDH1A1 (0.51) RAB9AALDH1A1NPC1SENP8SENP7
SCHEMBL14672183 0.84 LTA4H (0.46) RAB9AALDH1A1NPC1L3MBTL1KDM4E
SCHEMBL26014382 0.82 RAB9A (0.58) RAB9AALDH1A1ALOX5NPC1CASP3
SCHEMBL6973027 0.77 RAB9A (0.47) RAB9AALDH1A1ALOX5NPC1CASP3
SCHEMBL2225993 0.76 RAB9A (0.50) RAB9AALDH1A1ALOX5NPC1CASP3
SCHEMBL12614763 0.75 RAB9A (0.52) RAB9AALDH1A1ALOX5NPC1CASP3

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 18 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
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
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
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 RAB9A 1528/4885ALDH1A1 1152/4885ALOX5 1435/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY RAB9A 1528/4885ALDH1A1 1152/4885ALOX5 1435/4885

“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.