SCHEMBL1820141

SCHEMBL1820141

Cc1ccccc1-c1csc(-c2cc(N)ccc2N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.49
ATP4A P20648 3/20 0.48
ATP4B P51164 3/20 0.48
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
PLA2G7 Q13093 1/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
PLAT P00750 1/20 0.41
CYP17A1 P05093 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL1821128 0.81 ALDH1A1 (0.54) C1SCDK5CDK5R1MAPTKDM4E
SCHEMBL1818589 0.78 RAB9A (0.55) C1SCDK5CDK5R1MAPTKDM4E
SCHEMBL207728 0.77 CYP19A1 (0.59) CDK5CDK5R1MAPTKDM4ENPC1
SCHEMBL1822397 0.77 SMN1; SMN2 (0.44) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30122888 0.76 HSD17B10 (0.62) ATP4AATP4BMAPTKDM4ENPC1
SCHEMBL3835119 0.76 HSD17B10 (0.62) ATP4AATP4BMAPTKDM4ENPC1
SCHEMBL173368 0.76 PLA2G7 (0.56) CDK5CDK5R1PLA2G7MAPTKDM4E
SCHEMBL1822088 0.75 KDM4E (0.61) C1SMAPTKDM4ENPC1RAB9A
SCHEMBL14315457 0.75 HSD17B10 (0.53) C1SATP4AATP4BMAPTKDM4E
SCHEMBL25959093 0.75 MPL (0.57) C1SATP4AATP4BMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 C1S 2785/4885ATP4A 1120/4885ATP4B 1218/4885

“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.