SCHEMBL6132072

SCHEMBL6132072

CCCCCc1ccnnc1CCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LIPG Q9Y5X9 1/20 0.38
KCNH2 Q12809 1/20 0.37
TYR P14679 2/20 0.37
ALOX5 P09917 2/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TLR8 Q9NR97 1/20 0.36
PPARA Q07869 1/20 0.35
PTGS2 P35354 2/20 0.34
ESR1 P03372 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33

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
SCHEMBL28992711 0.98 TDP1 (0.41) TDP1L3MBTL1LIPGKCNH2TYR
SCHEMBL28547139 0.98 TDP1 (0.41) TDP1L3MBTL1LIPGKCNH2TYR
SCHEMBL28164575 0.98 TDP1 (0.41) TDP1L3MBTL1LIPGKCNH2TYR
SCHEMBL28848032 0.98 TDP1 (0.41) TDP1L3MBTL1LIPGKCNH2TYR
SCHEMBL28164503 0.98 TDP1 (0.41) TDP1L3MBTL1LIPGKCNH2TYR
SCHEMBL28944228 0.84 CYP2E1 (0.35) CYP3A4ADRA2AADRA2BADRA2C
Ammonia Solution, Strong SCHEMBL28821972 0.82 CYP2E1 (0.34) CYP3A4
SCHEMBL1845714 0.81 TYR (0.40) TDP1L3MBTL1LIPGKCNH2TYR
SCHEMBL4784302 0.79 TLR8 (0.45) TDP1L3MBTL1LIPGTLR8KDM4E
SCHEMBL4784300 0.79 TDP1 (0.41) TDP1L3MBTL1KCNH2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113508112-A Herbicidal compounds 先正达农作物保护股份公司 2021-10-15 CN disclosed
CN-113453553-A Herbicidal composition 先正达农作物保护股份公司 2021-09-28 CN disclosed
CN-113453554-A Herbicidal composition 先正达农作物保护股份公司 2021-09-28 CN disclosed
CN-113423273-A Herbicidal composition 先正达农作物保护股份公司 2021-09-21 CN disclosed
CN-113423272-A Herbicidal composition 先正达农作物保护股份公司 2021-09-21 CN disclosed
CN-113423271-A Pre-harvest drying method 先正达农作物保护股份公司 2021-09-21 CN disclosed
CN-113412054-A Herbicidal composition 先正达农作物保护股份公司 2021-09-17 CN disclosed
CN-111836806-A Herbicidal compounds 先正达参股股份有限公司 2020-10-27 CN disclosed
CN-111032640-A Herbicidal compounds 先正达参股股份有限公司 2020-04-17 CN disclosed
EP-1435957-A4 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMA (US) 2005-04-13 EP disclosed
US-20040242886-A1 Monocyclic diazodioxide based Bcl-2 protein antagonists related applications RICERCA BIOSCIENCES, LLC. 2004-12-02 US disclosed
WO-2004099158-A1 MONOCYCLIC DIAZODIOXIDE BASED BCL-2 PROTEIN ANTAGONISTS RICERCA BIOSCIENCES, LLC. (US) 2004-11-18 WO disclosed
EP-1435957-A2 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES Vertex Pharmaceuticals Incorporated (US) 2004-07-14 EP disclosed
EP-1385834-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-02-04 EP disclosed
WO-2003027083-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-04-03 WO disclosed
WO-2002088078-A2 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3β PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 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 (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-20040242886-A1 Monocyclic diazodioxide based Bcl-2 protein antagonists related applications BCL2A1, BCL2, BCL2L10 TDP1 4575/4885L3MBTL1 2107/4885LIPG 4079/4885

“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.