SCHEMBL940240

SCHEMBL940240

O=C(c1csc(-c2ccc(Cl)cc2)c1)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
MAPK1 P28482 1/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CNR1 P21554 1/20 0.48
ALDH1A1 P00352 4/20 0.47
TP53 P04637 2/20 0.47
MDM2 Q00987 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.46
CHRNA7 P36544 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD11B1 P28845 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
LIPE Q05469 1/20 0.45
MALT1 Q9UDY8 1/20 0.45

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
SCHEMBL12911827 1.00 HPGD (0.55) HPGDMAPK1NPC1RAB9ACNR1
SCHEMBL938631 0.86 HPGD (0.55) HPGDMAPK1NPC1RAB9AALDH1A1
SCHEMBL12911801 0.86 HPGD (0.62) HPGDMAPK1NPC1RAB9ACNR1
SCHEMBL12911826 0.86 HPGD (0.58) HPGDMAPK1NPC1RAB9AALDH1A1
SCHEMBL939431 0.86 HPGD (0.58) HPGDMAPK1NPC1RAB9AALDH1A1
SCHEMBL16750158 0.85 HPGD (0.54) HPGDMAPK1NPC1RAB9AALDH1A1
SCHEMBL12911875 0.84 HPGD (0.56) HPGDMAPK1NPC1RAB9AALDH1A1
SCHEMBL938955 0.84 HPGD (0.56) HPGDMAPK1NPC1RAB9AALDH1A1
SCHEMBL938793 0.84 HPGD (0.59) HPGDMAPK1NPC1RAB9AALDH1A1
SCHEMBL12946063 0.83 HPGD (0.61) HPGDMAPK1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 US disclosed
EP-2283004-B1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-05-27 EP disclosed
US-8614209-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2013-12-24 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
EP-2283004-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2011-02-16 EP disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
WO-2009112845-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2009-09-17 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 (3 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-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 HPGD 215/4885MAPK1 671/4885NPC1 174/4885
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA HPGD 512/4885MAPK1 3572/4885NPC1 1022/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 HPGD 215/4885MAPK1 671/4885NPC1 174/4885

“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.