SCHEMBL3841520

SCHEMBL3841520

CN(C)C(=O)c1cc(Br)sc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 5/20 0.33
NPC1 O15118 2/20 0.33
PDK1 Q15118 2/20 0.33
PDK2 Q15119 2/20 0.33
PDK3 Q15120 2/20 0.33
PDK4 Q16654 2/20 0.33
HTT P42858 3/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GSK3B P49841 1/20 0.32
KEAP1 Q14145 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL13558619 0.82 LMNA (0.30) ALDH1A1LMNA
SCHEMBL10054166 0.81 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL29923032 0.79 HPGD (0.42) ALDH1A1LMNASMN1; SMN2KMT2AL3MBTL1
SCHEMBL27417891 0.77 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL11841036 0.76 GSK3B (0.38) ALDH1A1KMT2AHPGDGSK3B
Dimethylformamide SCHEMBL27771818 0.74 TSHR (0.35) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL623602 0.74 TSHR (0.45) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL28713332 0.72 GSK3B (0.35) ALDH1A1GSK3B
SCHEMBL29114725 0.72 DGAT1 (0.39) ALDH1A1LMNAKMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL29045760 0.72 TSHR (0.43) ALDH1A1LMNAKMT2AMEN1POLB

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713371-B2 Polar functional group-partially introduced polymer, preparation method therefor, and organic electronic element containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-08-01 US disclosed
US-11713371-B2 Polar functional group-partially introduced polymer, preparation method therefor, and organic electronic element containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-08-01 US disclosed
US-11713371-B2 Polar functional group-partially introduced polymer, preparation method therefor, and organic electronic element containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-08-01 US disclosed
EP-3243818-B1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS RAYNERGY TEK INC (TW) 2021-02-17 EP disclosed
EP-3243818-B1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS RAYNERGY TEK INC (TW) 2021-02-17 EP disclosed
US-20200308342-A1 POLAR FUNCTIONAL GROUP-PARTIALLY INTRODUCED POLYMER, PREPARATION METHOD THEREFOR, AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-10-01 US disclosed
WO-2019112220-A1 POLAR FUNCTIONAL GROUP-PARTIALLY INTRODUCED POLYMER, PREPARATION METHOD THEREFOR, AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME 한국화학연구원 2019-06-13 WO disclosed
WO-2019112220-A1 POLAR FUNCTIONAL GROUP-PARTIALLY INTRODUCED POLYMER, PREPARATION METHOD THEREFOR, AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME 한국화학연구원 2019-06-13 WO disclosed
US-10158079-B2 Polymers of benzodithiophene and their use as organic semiconductors MERCK PATENT GMBH (DE) 2018-12-18 US disclosed
EP-3243818-A1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS Merck Patent GmbH (DE) 2017-11-15 EP disclosed
US-20130126855-A1 POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS COMPRISING THESE POLYMERS, AND DEVICES COMPRISING THESE POLYMERS OR BLENDS MERCK PATENT GMBH (DE) 2013-05-23 US disclosed
US-20130043434-A1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-02-21 US disclosed
US-20130043434-A1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-02-21 US disclosed
US-20130043434-A1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-02-21 US disclosed
WO-2012013310-A1 POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS CONTAINING SAID POLYMERS, AND DEVICES CONTAINING SAID POLYMERS OR BLENDS MERCK PATENT GMBH (DE) 2012-02-02 WO disclosed
WO-2011131280-A1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2011-10-27 WO disclosed
US-20090314997-A1 SUBSTITUTED BENZODITHIOPHENES AND BENZODISELENOPHENES MERCK PATENT GESELLSCHAFT (DE) 2009-12-24 US disclosed
EP-2044082-A1 SUBSTITUTED BENZODITHIOPHENES AND BENZODISELENOPHENES Merck Patent GmbH (DE) 2009-04-08 EP disclosed
WO-2008011957-A1 SUBSTITUTED BENZODITHIOPHENES AND BENZODISELENOPHENES MERCK PATENT GMBH (DE) 2008-01-31 WO disclosed
WO-2008011957-A1 SUBSTITUTED BENZODITHIOPHENES AND BENZODISELENOPHENES MERCK PATENT GMBH (DE) 2008-01-31 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-20090314997-A1 SUBSTITUTED BENZODITHIOPHENES AND BENZODISELENOPHENES TPST2, TST, XPOT ALDH1A1 1631/4885LMNA 4410/4885SMN1; SMN2 2931/4885
US-20130043434-A1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS TST, TPST2, PPOX ALDH1A1 2396/4885LMNA 4804/4885SMN1; SMN2 3586/4885
US-10158079-B2 Polymers of benzodithiophene and their use as organic semiconductors TST, TPST2, PPOX ALDH1A1 2396/4885LMNA 4804/4885SMN1; SMN2 3586/4885

“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.