SCHEMBL1330646

SCHEMBL1330646

C[C@@H](N=C=O)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA2A P08913 4/20 0.43
ADRA2B P18089 4/20 0.43
ADRA2C P18825 4/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
EPHX2 P34913 2/20 0.38

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
SCHEMBL29450615 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL29648886 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL29450632 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL714591 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL547207 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL7532913 0.92 MIF (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL7532922 0.92 MIF (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL331134 0.82 MIF (0.39) ALDH1A1CYP1A2LMNA
SCHEMBL8850662 0.82 AKR1B1 (0.35) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL3886974 0.82 MIF (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760750-B1 Process for preparing levoketoconazole NURAY CHEMICALS PRIVATE LIMITED (IN) 2023-09-19 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-4463176-A REGENERATION OF SEPARATED CHIRAL ISOCYANATE-TREATED ADRENERGIC BLOCKING AGENTS USING HYDRAZINE HYDRATE AND A KETO ACID MEAD JOHNSON & COMPANY (US) 1984-07-31 US claimed
JP-9297126-A None JP disclosed
US-11760750-B1 Process for preparing levoketoconazole NURAY CHEMICALS PRIVATE LIMITED (IN) 2023-09-19 US disclosed
US-11452712-B2 Methods and compositions involving (S)-bucindolol ARCA BIOPHARMA INC. (US) 2022-09-27 US disclosed
CN-111944515-B Circular polarization luminescent material and preparation method and application thereof 中国科学院化学研究所 2022-05-10 CN disclosed
US-11215583-B2 Methods for detection of sample enantiomers using differential mobility spectrometry DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2022-01-04 US disclosed
US-20210228508-A1 COMPOSITIONS AND METHODS THEREOF Exciva GmbH 2021-07-29 US disclosed
CN-111944515-A Circular polarization luminescent material and preparation method and application thereof 中国科学院化学研究所 2020-11-17 CN disclosed
CN-110455960-A The method for detecting enantiomter content in (S)-(-) -3- amino quinine cyclammonium dihydrochloride SHANDONG QIDU PHARMACEUTICAL 2019-11-15 CN disclosed
EP-0105745-A2 Packing materials for chromatographic use and their employment in analysing enantiomeric mixtures SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-18 EP disclosed
EP-0038617-B1 DIASTEREOMERS OF AMINO ACID ESTERS, PESTICIDAL COMPOSITIONS INCLUDING THEM AND METHOD OF CONTROLLING PESTS USING THEM ZOECON CORPORATION (US) 1983-07-20 EP disclosed
US-4380653-A HYPOTENSIVES, CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1983-04-19 US disclosed
EP-0050585-A1 1,5-Bis-(1,4-benzodioxin-2-yl)-3-azapentane-1,5 diols, process for their preparation, pharmaceutical preparations containing them and their therapeutical use CIBA-GEIGY AG (CH) 1982-04-28 EP disclosed
US-4313955-A HYPOTESIVE AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-02 US disclosed
EP-0038617-A1 Diastereomers of amino acid esters, pesticidal compositions including them and method of controlling pests using them ZOECON CORPORATION (US) 1981-10-28 EP disclosed
US-4276230-A Cyano-3-phenoxybenzyl N-1-(1-naphthyl) ethylcarbamate ZOECON CORPORATION (US) 1981-06-30 US disclosed
US-4260633-A INSECTICIDES, MITICIDES ZOECON CORPORATION (US) 1981-04-07 US disclosed
US-4259348-A DIASTEREOMERS, INSECTICIDES, MITICIDES ZOECON CORPORATION (US) 1981-03-31 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 (3 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-20210228508-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP2C19, CYP2F1 ALDH1A1 289/4885CYP1A2 15/4885CYP2C9 4/4885
US-11452712-B2 Methods and compositions involving (S)-bucindolol ADRB3, ADRB2, ADRB1 ALDH1A1 1011/4885CYP1A2 116/4885CYP2C9 52/4885
US-11760750-B1 Process for preparing levoketoconazole KHK, KYAT3, PLK3 ALDH1A1 2659/4885CYP1A2 209/4885CYP2C9 108/4885

“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.