SCHEMBL2225993

SCHEMBL2225993

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
ALDH1A1 P00352 3/20 0.50
ALOX5 P09917 1/20 0.50
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
AR P10275 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 7/20 0.44
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HPGD P15428 1/20 0.42
ATP4A P20648 2/20 0.42
ATP4B P51164 2/20 0.42

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
SCHEMBL2225540 0.85 LTA4H (0.48) ALDH1A1ALOX5MAPTKDM4EGAA
SCHEMBL2226326 0.85 MAPT (0.36) RAB9AALDH1A1ALOX5MAPTLMNA
SCHEMBL2228103 0.85 RAB9A (0.49) RAB9AALDH1A1ALOX5MAPTLMNA
SCHEMBL2228668 0.84 ALDH1A1 (0.49) RAB9AALDH1A1MAPTLMNAHTT
SCHEMBL6973027 0.82 RAB9A (0.47) RAB9AALDH1A1ALOX5MAPTLMNA
SCHEMBL26014382 0.82 RAB9A (0.58) RAB9AALDH1A1ALOX5MAPTAR
SCHEMBL2225564 0.76 RAB9A (0.54) RAB9AALDH1A1ALOX5MAPTAR
SCHEMBL12614763 0.75 RAB9A (0.52) RAB9AALDH1A1ALOX5MAPTLMNA
SCHEMBL1764515 0.73 RAB9A (0.64) RAB9AALDH1A1ALOX5MAPTHTT
SCHEMBL19332570 0.73 HSD17B10 (0.40) RAB9AALDH1A1KDM4EGAANPC1

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 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.