SCHEMBL1821159

SCHEMBL1821159

c1ccc(-c2csc(NC3CCCCC3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 1.00
NPC1 O15118 3/20 1.00
LMNA P02545 2/20 0.66
TYR P14679 1/20 0.58
MAOA P21397 8/20 0.55
MAOB P27338 8/20 0.55
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GFER P55789 1/20 0.54
ALDH1A1 P00352 2/20 0.51
ELOVL1 Q9BW60 1/20 0.51
ALOX12 P18054 2/20 0.50
CXCR3 P49682 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL1473691 0.82 RAB9A (0.69) RAB9ANPC1LMNATYRSMN1; SMN2
SCHEMBL3451669 0.80 NPC1 (0.67) RAB9ANPC1LMNATYRMAOA
SCHEMBL19357131 0.80 LMNA (1.00) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL19500906 0.79 RAB9A (0.64) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL17948276 0.77 TYR (0.63) RAB9ANPC1LMNATYRSMN1; SMN2
SCHEMBL2753301 0.77 LMNA (0.71) RAB9ANPC1LMNATYRSMN1; SMN2
SCHEMBL23686232 0.76 RAB9A (0.61) RAB9ANPC1LMNAMAOAMAOB
SCHEMBL17107238 0.75 RAB9A (0.70) RAB9ANPC1LMNATYRSMN1; SMN2
SCHEMBL1474528 0.75 RAB9A (0.60) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL6440216 0.75 RAB9A (0.60) RAB9ANPC1LMNAMAOAMAOB

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 20 patents. 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-9717709-B2 Substituted pyrazoles as heat shock transcription factor activators DUKE UNIVERSITY (US) 2017-08-01 US disclosed
US-9718784-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-9533963-B2 Alkylamidothiazoles, cosmetic or dermatological preparations containing said alkylamidothiazoles, and use thereof to combat or prevent undesired pigmentation of the skin BEIERSDORF AG (DE) 2017-01-03 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-20140121250-A1 ALKYLAMIDOTHIAZOLES, COSMETIC OR DERMATOLOGICAL PREPARATIONS CONTAINING SAID ALKYLAMIDOTHIAZOLES, AND USE THEREOF TO COMBAT OR PREVENT UNDESIRED PIGMENTATION OF THE SKIN BEIERSDORF AG (DE) 2014-05-01 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 (6 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 RAB9A 3776/4885NPC1 3262/4885LMNA 4374/4885
US-20160024035-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 RAB9A 3656/4885NPC1 2279/4885LMNA 3403/4885
US-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 RAB9A 3656/4885NPC1 2279/4885LMNA 3403/4885
US-20140121250-A1 ALKYLAMIDOTHIAZOLES, COSMETIC OR DERMATOLOGICAL PREPARATIONS CONTAINING SAID ALKYLAMIDOTHIAZOLES, AND USE THEREOF TO COMBAT OR PREVENT UNDESIRED PIGMENTATION OF THE SKIN TYR, PAH, NAT1 RAB9A 3223/4885NPC1 780/4885LMNA 1183/4885
US-20130267543-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 RAB9A 3656/4885NPC1 2279/4885LMNA 3403/4885
US-20170000768-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 RAB9A 3656/4885NPC1 2279/4885LMNA 3403/4885

“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.