SCHEMBL1822809

SCHEMBL1822809

FC(F)(F)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.76
NPY5R Q15761 2/20 0.70
VCP P55072 2/20 0.68
AMY1A P0DUB6 1/20 0.68
SMN1; SMN2 Q16637 4/20 0.67
CFTR P13569 1/20 0.63
MAPT P10636 6/20 0.63
RAB9A P51151 4/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
GAA P10253 1/20 0.63
NFKB1 P19838 1/20 0.63
RECQL P46063 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
CSNK2A1 P68400 1/20 0.63
NPC1 O15118 2/20 0.61
KDM4E B2RXH2 2/20 0.60
POLB P06746 2/20 0.60
MAPK1 P28482 1/20 0.60

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
SCHEMBL1888054 0.90 ALOX5 (0.78) ALOX5NPY5RVCPAMY1ASMN1; SMN2
SCHEMBL31126428 0.87 ALOX5 (0.78) ALOX5NPY5RVCPAMY1ASMN1; SMN2
SCHEMBL23610351 0.86 ALOX5 (0.76) ALOX5NPY5RVCPAMY1ASMN1; SMN2
SCHEMBL2648894 0.86 ALOX5 (1.00) ALOX5NPY5RVCPAMY1AMAPT
SCHEMBL207658 0.85 MEN1 (0.75) ALOX5NPY5RVCPSMN1; SMN2MAPT
SCHEMBL31126438 0.85 ALOX5 (0.64) ALOX5NPY5RVCPSMN1; SMN2CFTR
SCHEMBL5026675 0.85 ALOX5 (0.64) ALOX5NPY5RVCPSMN1; SMN2CFTR
SCHEMBL23554169 0.85 ALOX5 (0.60) ALOX5NPY5RVCPAMY1ASMN1; SMN2
SCHEMBL7267313 0.85 VCP (0.80) ALOX5NPY5RVCPSMN1; SMN2CFTR
SCHEMBL1821894 0.85 ALOX5 (0.79) ALOX5NPY5RVCPAMY1ASMN1; SMN2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000768-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF CHAPERONE THERAPEUTICS, INC. 2017-01-05 US claimed
US-20160221958-A1 SUBSTITUTED PYRAZOLES AS HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATORS DUKE UNIVERSITY 2016-08-04 US claimed
US-20130267543-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF CHAPERONE THERAPEUTICS, INC. (US) 2013-10-10 US claimed
EP-2637658-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF Duke University (US) 2013-09-18 EP claimed
WO-2012064715-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY (US) 2012-05-18 WO claimed
US-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY (US) 2011-05-12 US claimed
US-20240390333-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIV AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2024-11-28 US disclosed
CN-107629022-B Antibacterial synergist and preparation method and application thereof 上海医药工业研究院 2024-11-12 CN disclosed
US-11974988-B2 Neuroprotective compositions and methods of using the same BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2024-05-07 US disclosed
US-20210205275-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2021-07-08 US disclosed
US-20210205275-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2021-07-08 US disclosed
US-9718784-B2 Substituted pyrazoles as heat shock transcription factor activators DUKE UNIVERSITY (US) 2017-08-01 US disclosed
US-9717709-B2 Substituted pyrazoles as heat shock transcription factor activators DUKE UNIVERSITY (US) 2017-08-01 US disclosed
US-9315449-B2 Substituted pyrazoles as heat shock transcription factor activators DUKE UNIVERSITY (US) 2016-04-19 US disclosed
US-20160024035-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY 2016-01-28 US disclosed
US-9156775-B2 Substituted 1,3-thiazoles as heat shock transcription factor 1 activators DUKE UNIVERSITY (US) 2015-10-13 US disclosed
US-20130267543-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF CHAPERONE THERAPEUTICS, INC. (US) 2013-10-10 US disclosed
EP-2637658-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF Duke University (US) 2013-09-18 EP disclosed
WO-2012064715-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY (US) 2012-05-18 WO disclosed
US-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY (US) 2011-05-12 US 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 (8 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-20160221958-A1 SUBSTITUTED PYRAZOLES AS HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATORS HSF1, HSP90AB1, HSPBP1 ALOX5 3430/4885NPY5R 3251/4885VCP 1003/4885
US-20160024035-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 ALOX5 3324/4885NPY5R 3734/4885VCP 832/4885
US-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 ALOX5 3324/4885NPY5R 3734/4885VCP 832/4885
US-20130267543-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 ALOX5 3324/4885NPY5R 3734/4885VCP 832/4885
US-20210205275-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME GAP43, NLN, SMN1; SMN2 ALOX5 302/4885NPY5R 1885/4885VCP 1377/4885
US-20170000768-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 ALOX5 3324/4885NPY5R 3734/4885VCP 832/4885
US-11974988-B2 Neuroprotective compositions and methods of using the same GAP43, NLN, SMN1; SMN2 ALOX5 302/4885NPY5R 1885/4885VCP 1377/4885
US-20240390333-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME GAP43, NLN, SMN1; SMN2 ALOX5 302/4885NPY5R 1885/4885VCP 1377/4885

“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.