SCHEMBL425911

SCHEMBL425911

O=[N+]([O-])c1cccc([I+]c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
LMNA P02545 3/20 0.59
ALDH1A1 P00352 5/20 0.56
NFE2L2 Q16236 1/20 0.53
ACHE P22303 1/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.48
KDM1A O60341 2/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL29601516 0.94 TSHR (0.67) TSHRLMNAALDH1A1NFE2L2ACHE
SCHEMBL143162 0.94 TSHR (0.67) TSHRLMNAALDH1A1NFE2L2ACHE
SCHEMBL8825063 0.93 TSHR (0.52) TSHRLMNAALDH1A1NFE2L2ACHE
Bromide SCHEMBL31058252 0.92 TSHR (0.64) TSHRLMNAALDH1A1NFE2L2ACHE
SCHEMBL31145718 0.92 TSHR (0.64) TSHRLMNAALDH1A1NFE2L2ACHE
SCHEMBL31058260 0.91 TSHR (0.57) TSHRLMNAALDH1A1NFE2L2ACHE
Sulfuric Acid SCHEMBL4556409 0.90 LMNA (0.48) TSHRLMNAALDH1A1NFE2L2TP53
SCHEMBL31058126 0.87 TSHR (0.57) TSHRLMNAALDH1A1NFE2L2ACHE
SCHEMBL29457303 0.87 TSHR (0.57) TSHRLMNAALDH1A1NFE2L2ACHE
SCHEMBL8331595 0.87 TSHR (0.57) TSHRLMNAALDH1A1NFE2L2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024158026-A1 PHOTOSENSITIVE COMPOSITION FOR FORMING HOLOGRAM LAYER 大日本印刷株式会社 2024-08-02 WO disclosed
US-20230309369-A1 Organic Light-Emitting Device LG CHEM, LTD. (KR) 2023-09-28 US disclosed
US-11737300-B2 Coating composition and organic light-emitting device LG CHEM, LTD. (KR) 2023-08-22 US disclosed
US-11702550-B2 Coating composition, organic light-emitting diode using same, and method for preparing same LG CHEM, LTD. 2023-07-18 US disclosed
US-9760004-B2 Radiation-sensitive resin composition and resist pattern-forming method JSR CORPORATION (JP) 2017-09-12 US disclosed
US-9760004-B2 Radiation-sensitive resin composition and resist pattern-forming method JSR CORPORATION (JP) 2017-09-12 US disclosed
US-20170038679-A1 RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, ACID GENERATOR AND COMPOUND JSR CORPORATION (JP) 2017-02-09 US disclosed
US-9523911-B2 Radiation-sensitive resin composition, resist pattern-forming method, acid generator and compound JSR CORPORATION (JP) 2016-12-20 US disclosed
US-9188858-B2 Radiation-sensitive resin composition, method for forming resist pattern, acid generating agent and compound JSR CORPORATION (JP) 2015-11-17 US disclosed
US-9152044-B2 2015-10-06 US disclosed
US-20110014569-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND POLYMER JSR CORPORATION (JP) 2011-01-20 US disclosed
US-20100324329-A1 COMPOUND JSR CORPORATION (JP) 2010-12-23 US disclosed
US-7812105-B2 Compound, polymer, and radiation-sensitive composition JSR CORPORATION (JP) 2010-10-12 US disclosed
US-20100255420-A1 RADIATION SENSITIVE RESIN COMPOSITION AND POLYMER JSR CORPORATION (JP) 2010-10-07 US disclosed
US-20100221659-A1 COMPOUND, SALT, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-09-02 US disclosed
US-20100063232-A1 POLYMERIZABLE SULFONIC ACID ONIUM SALT AND RESIN JSR CORPORATION (JP) 2010-03-11 US disclosed
US-20100040977-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-18 US disclosed
US-20090069521-A1 Novel Compound, Polymer, and Radiation-Sensitive Composition JSR CORPORATION (JP) 2009-03-12 US disclosed
US-20070054214-A1 Acid generators, sulfonic acids, sulfonyl halides, and radiation sensitive resin compositions JSR CORPORATION (JP) 2007-03-08 US disclosed
US-6084004-A MIXTURES OF EPOXY COMPOUNDS, DIARYLIODINIUM COMPOUNDS, ALPHA-DICARBONYL COMPOUNDS, AROMATIC AMINES, FILLERS AND ADJUVANTS WHICH POLYMERIZE TO YIELD STRONG TRANSPARENT PLASTICS FOR DENTAL PROSTHETICS ESPE DENTAL AG (DE) 2000-07-04 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-20100063232-A1 POLYMERIZABLE SULFONIC ACID ONIUM SALT AND RESIN ASIC1, RER1, RPS10 TSHR 941/4885LMNA 2641/4885ALDH1A1 2200/4885
US-20100324329-A1 COMPOUND AFF2, AFF1, AFF4 TSHR 890/4885LMNA 1517/4885ALDH1A1 2783/4885
US-20090069521-A1 Novel Compound, Polymer, and Radiation-Sensitive Composition MRE11, RAD51, MRPS22 TSHR 2355/4885LMNA 2035/4885ALDH1A1 4458/4885
US-20100221659-A1 COMPOUND, SALT, AND RADIATION-SENSITIVE RESIN COMPOSITION AFF1, RER1, AFF4 TSHR 1006/4885LMNA 1992/4885ALDH1A1 3298/4885
US-11737300-B2 Coating composition and organic light-emitting device CD59, CLTB, EPCAM TSHR 4358/4885LMNA 1463/4885ALDH1A1 2135/4885
US-20170038679-A1 RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, ACID GENERATOR AND COMPOUND RER1, ASIC1, GAR1 TSHR 2027/4885LMNA 3677/4885ALDH1A1 1136/4885

“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.