SCHEMBL1018166

SCHEMBL1018166

O=[N+]([O-])c1cccc(B(c2cccc([N+](=O)[O-])c2)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.67
LMNA P02545 2/20 0.67
KMT2A Q03164 2/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 6/20 0.55
ACHE P22303 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALOX15 P16050 1/20 0.55
HSP90AA1 P07900 1/20 0.53
CA2 P00918 2/20 0.53
CA5A P35218 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
TP53 P04637 1/20 0.50
CA1 P00915 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49

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
SCHEMBL16687390 0.83 TSHR (0.61) TSHRLMNAKMT2AGAAHTT
SCHEMBL20312286 0.83 TSHR (0.61) TSHRLMNAKMT2AGAAHTT
SCHEMBL29758194 0.83 TSHR (0.61) TSHRLMNAKMT2AGAAHTT
SCHEMBL127723 0.83 TSHR (0.61) TSHRLMNAKMT2AGAAHTT
Hydrochloric Acid SCHEMBL28382242 0.82 TSHR (0.59) TSHRLMNAKMT2AGAAHTT
Dinitrophenylene SCHEMBL29291896 0.81 TSHR (1.00) TSHRLMNAKMT2AGAAHTT
Dinitrophenylene SCHEMBL36632 0.81 TSHR (1.00) TSHRLMNAKMT2AGAAHTT
SCHEMBL16812678 0.80 TSHR (0.57) TSHRLMNAKMT2AGAAHTT
SCHEMBL20312300 0.79 TSHR (0.55) TSHRLMNAKMT2AGAAHTT
SCHEMBL6683625 0.79 TSHR (0.55) TSHRLMNAKMT2AGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240164993-A1 ORGANOSILICON COMPOUND AND DENTAL COMPOSITION CONTAINING SAME KURARAY NORITAKE DENTAL INC. (JP) 2024-05-23 US disclosed
US-20230381066-A1 DENTAL CURABLE COMPOSITION HAVING GOOD COLOR COMPATIBILITY KURARAY NORITAKE DENTAL INC. (JP) 2023-11-30 US disclosed
EP-4268791-A1 ORGANOSILICON COMPOUND AND DENTAL COMPOSITION CONTAINING SAME Kuraray Noritake Dental Inc. (JP) 2023-11-01 EP disclosed
EP-4238546-A1 DENTAL CURABLE COMPOSITION HAVING GOOD COLOR COMPATIBILITY Kuraray Noritake Dental Inc. (JP) 2023-09-06 EP disclosed
US-20230075693-A1 FLUORESCENT CURABLE DENTAL COMPOSITION AND CURED PRODUCT THEREOF KURARAY NORITAKE DENTAL INC. (JP) 2023-03-09 US disclosed
US-20230049373-A1 PASTE-LIKE COMPOSITION FOR DENTAL USE, AND METHOD FOR PRODUCING THE SAME KURARAY NORITAKE DENTAL INC. (JP) 2023-02-16 US disclosed
EP-3782598-B1 ADHESIVE COMPOSITION FOR DENTAL USE KURARAY NORITAKE DENTAL INC (JP) 2023-02-15 EP disclosed
US-20230040426-A1 DENTAL RESTORATION MATERIAL COMPOSITION KURARAY NORITAKE DENTAL INC. (JP) 2023-02-09 US disclosed
US-11547639-B2 Dental composition containing platinum nanoparticles KURARAY NORITAKE DENTAL INC. (JP) 2023-01-10 US disclosed
EP-4032522-A1 CURABLE COMPOSITION FOR DENTISTRY Kuraray Noritake Dental Inc. (JP) 2022-07-27 EP disclosed
US-20120213832-A1 REMOVABLE DENTAL CURABLE COMPOSITION SUN MEDICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-8148571-B2 Compound, composition comprising the same, and process for production of polymerizable amide KURARAY MEDICAL INC. (JP) 2012-04-03 US disclosed
US-20110070563-A1 EASILY REMOVABLE DENTAL CURABLE COMPOSITION SUN MEDICAL CO., LTD. (JP) 2011-03-24 US disclosed
EP-2272486-A1 EASILY REMOVABLE CURABLE COMPOSITION FOR DENTAL USE SUN MEDICAL CO., LTD. (JP) 2011-01-12 EP disclosed
US-20100076157-A1 NOVEL COMPOUND, COMPOSITION COMPRISING THE SAME, AND PROCESS FOR PRODUCTION OF POLYMERIZABLE AMIDE KURARAY MEDICAL INC. (JP) 2010-03-25 US disclosed
EP-2070935-A1 NOVEL COMPOUND, COMPOSITION COMPRISING THE SAME, AND PROCESS FOR PRODUCTION OF POLYMERIZABLE AMIDE Kuraray Medical Inc. (JP) 2009-06-17 EP disclosed
EP-1137641-B1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL CO (JP) 2004-11-10 EP disclosed
US-6500951-B1 RING CLOSING A CARBOXYLIC ACID DERIVATIVE IN PRESENCE OF A NITROGEN CONTAINING AROMATIC COMPOUND AND A BORON COMPOUND; HIGH YIELD AND PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
EP-1137641-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-04 EP disclosed
WO-2000034249-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-15 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 (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-20120213832-A1 REMOVABLE DENTAL CURABLE COMPOSITION SMARCA5, SMARCA1, SMARCA2 TSHR 2961/4885LMNA 740/4885KMT2A 273/4885
US-20230040426-A1 DENTAL RESTORATION MATERIAL COMPOSITION CAD, MAT2B, RER1 TSHR 3780/4885LMNA 2860/4885KMT2A 643/4885
US-20100076157-A1 NOVEL COMPOUND, COMPOSITION COMPRISING THE SAME, AND PROCESS FOR PRODUCTION OF POLYMERIZABLE AMIDE H1-0, H1-4, H1-2 TSHR 1712/4885LMNA 3598/4885KMT2A 1736/4885
US-20230075693-A1 FLUORESCENT CURABLE DENTAL COMPOSITION AND CURED PRODUCT THEREOF BRD1, TBCA, BAZ1A TSHR 4128/4885LMNA 133/4885KMT2A 2189/4885
US-20230049373-A1 PASTE-LIKE COMPOSITION FOR DENTAL USE, AND METHOD FOR PRODUCING THE SAME PFN1, XRN2, FLNA TSHR 4279/4885LMNA 154/4885KMT2A 1700/4885
US-20240164993-A1 ORGANOSILICON COMPOUND AND DENTAL COMPOSITION CONTAINING SAME MSL1, ITGA1, ASH2L TSHR 4172/4885LMNA 3123/4885KMT2A 1162/4885

“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.