SCHEMBL596385

SCHEMBL596385

C=CC[N+](CC=C)(CC=C)CC=C.[BH4-]

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
Hydrogen Sulfide SCHEMBL28090943 0.96 TSHR (0.33) TSHRALDH1A1
SCHEMBL197824 0.96 TSHR (0.33) TSHRALDH1A1
Lithium Ion SCHEMBL2504315 0.92 TSHR (0.31) TSHRALDH1A1
SCHEMBL5327333 0.92 TSHR (0.31) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL4552701 0.92 TSHR (0.31) TSHRALDH1A1
SCHEMBL5327324 0.92 TSHR (0.31) TSHRALDH1A1
Fluoride Ion SCHEMBL1260645 0.92 TSHR (0.31) TSHRALDH1A1
Fluoride Ion SCHEMBL33106 0.92 TSHR (0.31) TSHRALDH1A1
Hydrochloric Acid SCHEMBL20896 0.92 TSHR (0.31) TSHRALDH1A1
SCHEMBL2504316 0.92 TSHR (0.31) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179925-B2 Method for reducing organic compounds in microreactor by means of hydrides and/or the derivatives thereof MERCK PATENT GMBH (DE) 2007-02-20 US claimed
EP-0033553-B1 NICKEL COMPLEXES IN DIOL SOLVENTS AND THEIR USE AS PART OF A CATALYST IN THE OLIGOMERIZATION OF ETHYLENE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-06-06 EP claimed
EP-0033553-A2 Nickel complexes in diol solvents and their use as part of a catalyst in the oligomerization of ethylene SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-08-12 EP claimed
US-20220144813-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2022-05-12 US disclosed
US-11309098-B2 Mineralogical method and apparatus for removal of aqueous cesium ion KOREA ATOMIC ENERGY RESEARCH INSTITUTE (KR) 2022-04-19 US disclosed
US-20200377487-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-12-03 US disclosed
US-20200258646-A1 MINERALOGICAL METHOD AND APPARATUS FOR REMOVAL OF AQUEOUS CESIUM ION KOREA ATOMIC ENERGY RESEARCH INSTITUTE (KR) 2020-08-13 US disclosed
US-10478423-B2 Substituted indazole derivatives active as kinase inhibitiors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-11-19 US disclosed
EP-2917214-B1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2019-08-28 EP disclosed
US-20190241546-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-08-08 US disclosed
US-20180289672-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITIORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2018-10-11 US disclosed
WO-2007045420-A2 3-ALKYL-5- (4-ALKYL-5-OXO-TETRAHYDROFUTRAN-2-YL) PYRROLIDIN-2-ONE DERIVATIVES AS INTERMEDIATES IN THE SYNTHESIS OF RENIN INHIBITORS NOVARTIS AG (CH) 2007-04-26 WO disclosed
WO-2007009898-A1 1H-THIENO[2,3-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-01-25 WO disclosed
US-7112682-B2 Process for the preparation of N-amino substituted heterocyclic compounds AVENTIS PHARMACEUTICALS INC. (US) 2006-09-26 US disclosed
EP-1678135-A1 PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS Aventis Pharmaceuticals, Inc. (US) 2006-07-12 EP disclosed
US-20050101654-A1 Process for the preparation of N-amino substituted heterocyclic compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-05-12 US disclosed
WO-2005035496-A1 PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2005-04-21 WO disclosed
US-6380238-B1 FOR THERAPY OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS, AND SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2002-04-30 US disclosed
EP-1109784-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 EP disclosed
WO-2000012475-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2000-03-09 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-20200377487-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 TSHR 2999/4885ALDH1A1 1683/4885
US-20190241546-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 TSHR 2999/4885ALDH1A1 1683/4885
US-20050101654-A1 Process for the preparation of N-amino substituted heterocyclic compounds AADAT, KMO, KYNU TSHR 3627/4885ALDH1A1 1230/4885
US-20220144813-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 TSHR 2999/4885ALDH1A1 1683/4885
US-10478423-B2 Substituted indazole derivatives active as kinase inhibitiors MAP3K20, MAP3K1, MAP3K5 TSHR 3355/4885ALDH1A1 1999/4885
US-20180289672-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITIORS MAP3K20, MAP3K1, MAP3K5 TSHR 3355/4885ALDH1A1 1999/4885

“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.