SCHEMBL358325

SCHEMBL358325

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

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.75
KCNJ1 P48048 2/20 0.54
CA2 P00918 2/20 0.53
KCNH2 Q12809 2/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
ALDH1A1 P00352 1/20 0.50
CYP2C19 P33261 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
IDO1 P14902 1/20 0.47
EPHX1 P07099 1/20 0.47
AKR1C3 P42330 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 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
SCHEMBL6455031 0.98 TSHR (0.72) TSHRKCNJ1CA2KCNH2LOXL2
SCHEMBL9545598 0.98 TSHR (0.72) TSHRKCNJ1CA2KCNH2LOXL2
SCHEMBL10879042 0.98 TSHR (0.72) TSHRKCNJ1CA2KCNH2LOXL2
SCHEMBL378397 0.94 TSHR (0.78) TSHRKCNJ1CA2KCNH2LOXL2
SCHEMBL9317263 0.90 TSHR (0.62) TSHRKCNJ1CA2KCNH2EPHX1
SCHEMBL18913824 0.90 TSHR (0.69) TSHRKCNJ1KCNH2LOXL2ALDH1A1
SCHEMBL14040730 0.89 TSHR (0.60) TSHRKCNJ1CA2KCNH2LOXL2
SCHEMBL8503415 0.89 TSHR (0.60) TSHRKCNJ1CA2KCNH2ALDH1A1
SCHEMBL8503416 0.89 TSHR (0.60) TSHRKCNJ1CA2KCNH2ALDH1A1
SCHEMBL250473 0.86 TSHR (1.00) TSHRKCNJ1KCNH2LOXL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12398168-B2 Preparation method of a glycoside compound SHANGHAI HUTCHISON PHARMACEUTICALS LIMITED (CN) 2025-08-26 US disclosed
EP-4140974-B1 METHODS OF IRON CATALYZED C-H BOND AMINATION VERSITECH LTD (CN) 2025-05-14 EP disclosed
CN-119751869-A Polymer, liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element 武汉柔显科技股份有限公司 2025-04-04 CN disclosed
CN-118955244-A Method for preparing primary alcohol by homogeneously catalyzing and reducing carboxylic acid derivative by using N-heterocyclic carbene copper complex 延安大学 2024-11-15 CN disclosed
US-12098126-B2 Methods of iron catalyzed C-H bond amination VERSITECH LIMITED (CN) 2024-09-24 US disclosed
US-20230121302-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION VERSITECH LIMITED (CN) 2023-04-20 US disclosed
EP-4140974-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION The University of Hong Kong (HK) 2023-03-01 EP disclosed
CN-115710210-A Iron catalyzed amination of C-H bonds 港大科桥有限公司 2023-02-24 CN disclosed
US-20220380399-A1 PREPARATION METHOD OF A GLYCOSIDE COMPOUND SHANGHAI HUTCHISON PHARMACEUTICALS LIMITED (CN) 2022-12-01 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-4689341-A Antiarrhythmic imidazoles SCHERING A.G. (DE) 1987-08-25 US disclosed
US-4683234-A HYPOTENSIVE AGENTS, ANTI-ANGINA SUNTORY LIMITED (JP) 1987-07-28 US disclosed
EP-0206567-A2 Compounds of formula [1,1'-biphenyl]-2-carboxylic acid, 2'-[[[(substituted)phenyl]-(substituted)amino]carbonyl]-, pharmaceutical compositions comprising the compounds, and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1986-12-30 EP disclosed
US-4613609-A Antiarrhythmic imidazoliums SCHERING A. G. (DE) 1986-09-23 US disclosed
US-4602023-A Diphenic acid monoamides WARNER-LAMBERT COMPANY (US) 1986-07-22 US disclosed
EP-0178919-A2 Aminophenol derivatives GLAXO GROUP LIMITED (GB) 1986-04-23 EP disclosed
US-4581370-A Antiarrhythmic imidazoliums SCHERING A.G. (DE) 1986-04-08 US disclosed
EP-0162208-A2 Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1985-11-27 EP disclosed
EP-0131302-A2 Imidazolium salts, intermediates thereto and their use SCHERING AKTIENGESELLSCHAFT (DE) 1985-01-16 EP disclosed
US-4374061-A ACTIVATION, AMINATION, AND DIAZOTIZATION OF A POLYSACCHARIDE FOLLOWED BY REACTION WITH A GLOBULIN; CHROMATOGRAPHY; SEPARATION OF GLYCOPROTEINS CENTER FOR BLOOD RESEARCH, INC. (US) 1983-02-15 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-12098126-B2 Methods of iron catalyzed C-H bond amination FTH1, FECH, HCCS TSHR 1353/4885KCNJ1 1210/4885CA2 1088/4885
US-20230121302-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION FTH1, FECH, HCCS TSHR 1353/4885KCNJ1 1210/4885CA2 1088/4885
US-12398168-B2 Preparation method of a glycoside compound GALE, ST6GAL1, MGAM TSHR 3818/4885KCNJ1 2014/4885CA2 1160/4885
US-20220380399-A1 PREPARATION METHOD OF A GLYCOSIDE COMPOUND GALE, ST6GAL1, MGAM TSHR 3818/4885KCNJ1 2014/4885CA2 1160/4885

“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.