SCHEMBL2903776

SCHEMBL2903776

O=S(=O)([O-])c1ccccc1.O=[N+]([O-])c1cccc([I+]c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
GAA P10253 2/20 0.54
HTT P42858 1/20 0.54
CA2 P00918 2/20 0.51
CA5A P35218 1/20 0.51
CA1 P00915 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
LMNA P02545 3/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
ACHE P22303 1/20 0.46
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 3/20 0.45
AGTR1 P30556 1/20 0.45
RECQL P46063 1/20 0.45
F2 P00734 1/20 0.44

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
SCHEMBL5421317 0.91 KMT2A (0.58) KMT2AGAAHTTCA2CA5A
SCHEMBL2898432 0.88 CYP1A2 (0.53) KMT2AGAAHTTCA2CA5A
Sulfuric Acid SCHEMBL4556409 0.86 LMNA (0.48) KMT2AGAAHTTCA2CA5A
SCHEMBL425911 0.85 TSHR (0.59) KMT2AGAAHTTLMNATSHR
SCHEMBL4424722 0.85 KMT2A (0.44) KMT2AGAAHTTCA2CA5A
SCHEMBL2904040 0.84 MMP2 (0.48) KMT2AGAAHTTCA2CA5A
SCHEMBL5400366 0.84 CA2 (0.50) KMT2AHTTCA2CA5ACA1
SCHEMBL7583669 0.84 TSHR (0.53) KMT2AGAAHTTCA2CA5A
SCHEMBL143162 0.83 TSHR (0.67) KMT2AGAAHTTCA2CA5A
SCHEMBL29601516 0.83 TSHR (0.67) KMT2AGAAHTTCA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1253470-B1 Radiation-sensitive resin composition JSR CORP (JP) 2010-06-16 EP disclosed
EP-1238972-B1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORP (JP) 2009-12-16 EP disclosed
EP-1270553-B1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR CORP (JP) 2009-11-18 EP disclosed
EP-1640804-B1 Positive-tone radiation-sensitive resin composition JSR CORP (JP) 2008-11-19 EP disclosed
US-7335457-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2008-02-26 US disclosed
US-7323284-B2 Negative type radiation sensitive resin composition JSR CORPORATION (JP) 2008-01-29 US disclosed
US-7258962-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2007-08-21 US disclosed
US-20060078821-A1 A caroboxyalkylanthracene based compound, a hydroxy or alkoxystyrene polymer, and a sulfonimide compound as photoacid generator; low sublimation properties and excellent compatibility with other components; exhibits optimum controllability of radiation transmittance; microfabrication JSR CORPORATION (JP) 2006-04-13 US disclosed
EP-1640804-A2 Positive-tone radiation-sensitive resin composition JSR Corporation (JP) 2006-03-29 EP disclosed
US-20050244747-A1 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2005-11-03 US disclosed
EP-1343048-A2 Anthracene derivative and radiation-sensitive resin composition JSR Corporation (JP) 2003-09-10 EP disclosed
US-20030113658-A1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR CORPORATION (JP) 2003-06-19 US disclosed
US-20030113660-A1 Sulfonyloxime compound, and radiation sensitive acid generator, positive type radiation sensitive resin composition and negative type radiation sensitive resin composition using same JSR CORPORATION (JP) 2003-06-19 US disclosed
US-20030022095-A1 Negative type radiation sensitive resin composition JSR CORPORATION (JP) 2003-01-30 US disclosed
EP-1270553-A2 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR Corporation (JP) 2003-01-02 EP disclosed
US-20020192593-A1 Used as chemically amplified resist, exhibits high sensitivity, resolution, radiation transmittance, and surface smoothness, and is free from the problem of partial insolublization during overexposure JSR CORPORATION (JP) 2002-12-19 US disclosed
US-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORPORATION (JP) 2002-11-21 US disclosed
EP-1253470-A2 Radiation-sensitive resin composition JSR Corporation (JP) 2002-10-30 EP disclosed
EP-1238972-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR Corporation (JP) 2002-09-11 EP disclosed
EP-1231205-A1 VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2002-08-14 EP 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-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition ARID2, RAD1, RAD51 KMT2A 443/4885GAA 3284/4885HTT 3475/4885
US-20030113658-A1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition ASIC1, PFAS, RARA KMT2A 1845/4885GAA 871/4885HTT 4125/4885

“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.