SCHEMBL1821364

SCHEMBL1821364

Clc1cccc(Cl)c1Nc1nc2c(s1)=CC1=CC=CCC=21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
TRPV1 Q8NER1 14/20 0.34
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
CHRNA7 P36544 1/20 0.30
MEN1 O00255 1/20 0.30
SLC22A1 O15245 1/20 0.30
SLC22A3 O75751 1/20 0.30
HTR1A P08908 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HRH2 P25021 1/20 0.30
ADRA1D P25100 1/20 0.30
CYP2C19 P33261 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL1819297 0.78 KDM1A (0.35) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL18550704 0.77 OPRM1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL1822990 0.73 NPC1 (0.47) ALDH1A1MEN1CYP2C9KMT2A
SCHEMBL4960018 0.70
Iodide SCHEMBL3991507 0.69
SCHEMBL4966967 0.66 NPC1 (0.37) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL3340846 0.66 GAA (0.39) LMNAALDH1A1
SCHEMBL9046094 0.64 ADORA2A (0.33)
SCHEMBL9048043 0.63 MAPT (0.35) LMNAALDH1A1MEN1KMT2A
SCHEMBL9048189 0.62

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-20170000768-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF CHAPERONE THERAPEUTICS, INC. 2017-01-05 US disclosed
US-9447058-B2 Substituted 1,3-thiazoles as heat shock transcription factor 1 activators DUKE UNIVERSITY (US) 2016-09-20 US disclosed
US-20160221958-A1 SUBSTITUTED PYRAZOLES AS HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATORS DUKE UNIVERSITY 2016-08-04 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
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 (5 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 LMNA 4374/4885ALDH1A1 2672/4885HTT 224/4885
US-20160024035-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 LMNA 3403/4885ALDH1A1 3336/4885HTT 121/4885
US-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 LMNA 3403/4885ALDH1A1 3336/4885HTT 121/4885
US-20130267543-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 LMNA 3403/4885ALDH1A1 3336/4885HTT 121/4885
US-20170000768-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 LMNA 3403/4885ALDH1A1 3336/4885HTT 121/4885

“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.