SCHEMBL257287

SCHEMBL257287

O=C(c1cccs1)c1nsnc1C(=O)c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.55
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
LMNA P02545 4/20 0.53
HPGD P15428 4/20 0.53
NPC1 O15118 4/20 0.53
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPK1 P28482 3/20 0.53
HSD17B10 Q99714 3/20 0.53
KDM4E B2RXH2 3/20 0.53
HTT P42858 2/20 0.53
TP53 P04637 2/20 0.53
HSP90AA1 P07900 1/20 0.53
MAPT P10636 1/20 0.53
PTPN7 P35236 1/20 0.53
DUSP3 P51452 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CATSPER1 Q8NEC5 1/20 0.53

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
SCHEMBL182010 0.80 CES2 (0.71) HPGDSCES2CES1LMNAHPGD
SCHEMBL24554622 0.74 KDM4E (0.53) HPGDSLMNANPC1ALDH1A1RAB9A
SCHEMBL6793430 0.74 HPGDS (0.83) HPGDSCES2CES1LMNAHPGD
Cyclopentane SCHEMBL8081415 0.74 HPGDS (0.63) HPGDSCES2CES1LMNAHPGD
SCHEMBL6494787 0.72 HPGD (0.72) HPGDSCES2CES1LMNAHPGD
SCHEMBL9148337 0.72 LMNA (0.85) HPGDSCES2CES1LMNAHPGD
SCHEMBL7554202 0.72 HPGDS (0.71) HPGDSCES2CES1LMNAHPGD
SCHEMBL29463149 0.72 LMNA (0.50) HPGDSCES2CES1LMNAHPGD
SCHEMBL13714169 0.72 NPC1 (0.51) HPGDSCES2CES1LMNAHPGD
SCHEMBL158020 0.71 HPGDS (1.00) HPGDSCES2CES1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9837613-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837613-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9153784-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2015-10-06 US disclosed
US-9153784-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2015-10-06 US disclosed
US-20150270490-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20150270490-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
EP-2611851-B1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2014-10-29 EP disclosed
US-20130161567-A1 CONJUGATED POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-27 US disclosed
US-20130161567-A1 CONJUGATED POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-27 US disclosed
US-8173766-B2 Polymers derived from bis(thienocyclopenta) benzothiadiazole and their use as organic semiconductors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-08 US disclosed
US-8173766-B2 Polymers derived from bis(thienocyclopenta) benzothiadiazole and their use as organic semiconductors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-08 US disclosed
WO-2012028246-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2012-03-08 WO disclosed
US-20110178236-A1 POLYMERS DERIVED FROM BIS(THIENOCYCLOPENTA) BENZOTHIADIAZOLE AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-21 US disclosed
US-20110178236-A1 POLYMERS DERIVED FROM BIS(THIENOCYCLOPENTA) BENZOTHIADIAZOLE AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-21 US disclosed
WO-2010031479-A1 POLYMERS DERIVED FROM BIS(THIENOCYCLOPENTA)BENZOTHIADIAZOLE AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2010-03-25 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 (2 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-20150270490-A1 CONJUGATED POLYMERS OCIAD2, PARG, PPOX HPGDS 2247/4885CES2 1023/4885CES1 3069/4885
US-20130161567-A1 CONJUGATED POLYMERS OCIAD2, PARG, PPOX HPGDS 2247/4885CES2 1023/4885CES1 3069/4885

“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.