SCHEMBL1169852

SCHEMBL1169852

O=[N+]([O-])c1ccc(CCCBr)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
KCNJ1 P48048 3/20 0.56
KCNH2 Q12809 3/20 0.54
LOXL2 Q9Y4K0 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
IDO1 P14902 2/20 0.48
CHRM2 P08172 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C19 P33261 1/20 0.47
GSK3B P49841 1/20 0.47
POLB P06746 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
SCHEMBL1312325 0.94 TSHR (0.58) TSHRKCNJ1KCNH2LOXL2SIRT2
SCHEMBL7943874 0.92 KCNH2 (0.59) TSHRKCNJ1KCNH2LOXL2SIRT2
SCHEMBL77658 0.88 TSHR (0.64) TSHRKCNJ1KCNH2LOXL2HRH3
SCHEMBL30758863 0.87 TSHR (0.69) TSHRKCNJ1KCNH2LOXL2HRH3
SCHEMBL18913824 0.87 TSHR (0.69) TSHRKCNJ1KCNH2LOXL2HRH3
SCHEMBL1310286 0.84 KCNH2 (0.51) TSHRKCNJ1KCNH2LOXL2SIRT2
SCHEMBL3292782 0.83 TSHR (0.75) TSHRKCNJ1KCNH2LOXL2HRH3
SCHEMBL7317557 0.82 TSHR (0.62) TSHRKCNJ1KCNH2LOXL2HRH3
SCHEMBL9762640 0.81 TSHR (0.49) TSHRKCNJ1KCNH2LOXL2SIRT2
SCHEMBL1312040 0.80 TSHR (0.47) TSHRKCNJ1KCNH2LOXL2SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287076-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE C4 THERAPEUTICS, INC. 2024-08-29 US disclosed
CN-118255726-A P-SCN-NOTA type bifunctional chelating agent and synthesis method thereof 西安福诺医药科技有限公司 2024-06-28 CN disclosed
CN-117925256-A Liquid crystal alignment agent, method for producing same, liquid crystal alignment film, and liquid crystal display element 奇美实业股份有限公司 2024-04-26 CN disclosed
EP-4333899-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2024-03-13 EP disclosed
CN-117580592-A Compounds for targeting bruton's tyrosine kinase degradation 渤健马萨诸塞州股份有限公司 2024-02-20 CN disclosed
WO-2022235945-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2022-11-10 WO disclosed
US-10842893-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2020-11-24 US disclosed
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 CN disclosed
US-10556873-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2020-02-11 US disclosed
US-10441669-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2019-10-15 US disclosed
EP-0479601-A2 Piperidine derivatives and their use as antiarrhythmic agents Ajinomoto Co., Inc. (JP) 1992-04-08 EP disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed
US-4206144-A N,N-Dialkyl-N-aminoalkyl-N-(amino or nitro)phenylalkyl- and N-methyl-N-[3-(amino or nitro)phenoxy-2-hydroxy-1-propyl]-N,N-bis(3-aminopropyl)quaternary ammonium salts STERLING DRUG INC. (US) 1980-06-03 US disclosed
US-4146558-A Azo dyestuff intermediate nitro- or aminobenzenes ring-substituted by a quaternized amine alkyl or amino-alkoxy group STERLING DRUG INC. (US) 1979-03-27 US disclosed
US-4103092-A Water-soluble quaternary ammonium non-heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1978-07-25 US disclosed
US-4065500-A Water-soluble quaternary ammonium azo dyestuffs STERLING DRUG INC. (US) 1977-12-27 US disclosed
US-3996282-A Water-soluble quaternary ammonium dyestuffs STERLING DRUG INC. (US) 1976-12-07 US disclosed
US-3935182-A Water-soluble quaternary ammonium heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1976-01-27 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 (4 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-10556873-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using UACA, CLTC, CLTA TSHR 465/4885KCNJ1 4733/4885KCNH2 3435/4885
US-10842893-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same FECH, SLC40A1, TFRC TSHR 3803/4885KCNJ1 3900/4885KCNH2 4384/4885
US-20240287076-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN TSHR 3544/4885KCNJ1 4760/4885KCNH2 4730/4885
US-10441669-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same FECH, SLC40A1, TFRC TSHR 3803/4885KCNJ1 3900/4885KCNH2 4384/4885

“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.