SCHEMBL2014611

SCHEMBL2014611

O=[N+]([O-])c1cccc(C(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
LMNA P02545 2/20 0.61
ACP3 P15309 1/20 0.54
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 5/20 0.52
ACHE P22303 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALOX15 P16050 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL27388374 0.85 TSHR (0.57) TSHRLMNAACP3KMT2AL3MBTL1
SCHEMBL28248026 0.85 TSHR (0.57) TSHRLMNAACP3KMT2AL3MBTL1
SCHEMBL28301358 0.85 TSHR (0.57) TSHRLMNAACP3KMT2AL3MBTL1
SCHEMBL5717159 0.85 TSHR (0.57) TSHRLMNAACP3KMT2AL3MBTL1
SCHEMBL254876 0.84 TSHR (0.61) TSHRLMNAACP3KMT2AL3MBTL1
SCHEMBL4093002 0.83 TSHR (0.67) TSHRLMNAACP3KMT2AL3MBTL1
SCHEMBL28459256 0.83 TSHR (0.55) TSHRLMNAACP3KMT2AL3MBTL1
SCHEMBL9026172 0.82 TSHR (0.59) TSHRLMNAACP3KMT2AL3MBTL1
SCHEMBL27382846 0.82 TSHR (0.53) TSHRLMNAACP3KMT2AL3MBTL1
SCHEMBL3729581 0.81 TSHR (0.57) TSHRLMNAACP3KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867277-A Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof 韩国科学技术研究院 2023-03-28 CN disclosed
EP-3464287-B1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2022-06-08 EP disclosed
US-11344554-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2022-05-31 US disclosed
CN-109563095-B Animal and human antimalarial agents 细胞基因公司 2021-10-29 CN disclosed
WO-2021064077-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-04-08 WO disclosed
EP-3800188-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS Bayer AG (DE) 2021-04-07 EP disclosed
CN-112601752-A Novel inhibitors of MAP4K1 伊克诺斯科学公司 2021-04-02 CN disclosed
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors Ichnos Sciences SA (CH) 2020-11-03 US disclosed
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors Ichnos Sciences SA (CH) 2020-11-03 US disclosed
US-20200330469-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2020-10-22 US disclosed
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US disclosed
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
EP-2038268-A2 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-03-25 EP disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 WO disclosed
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 WO disclosed
US-4051168-A TO FORM FLUOROALKYL AROMATIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-27 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 (6 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-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS DRD3, TACR2, TACR1 TSHR 90/4885LMNA 4869/4885ACP3 2083/4885
US-20200330469-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP TSHR 2852/4885LMNA 1316/4885ACP3 3320/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TSHR 2753/4885LMNA 2816/4885ACP3 4035/4885
US-11344554-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP TSHR 2852/4885LMNA 1316/4885ACP3 3320/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 TSHR 2802/4885LMNA 3399/4885ACP3 4374/4885
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors PTGES, PTGS1, PTGIS TSHR 2179/4885LMNA 4091/4885ACP3 1219/4885

“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.