SCHEMBL473084

SCHEMBL473084

Cc1cccc(OC(N)=O)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
MAPT P10636 3/20 0.52
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ACHE P22303 1/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR1B P28222 1/20 0.41
KEAP1 Q14145 1/20 0.40

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
SCHEMBL31498232 1.00 POLB (0.56) POLBMAPTMEN1KMT2AACHE
SCHEMBL21551689 0.85 POLB (0.53) POLBMAPTMEN1KMT2AACHE
SCHEMBL28823408 0.84 MEN1 (0.45) POLBMAPTMEN1KMT2AACHE
SCHEMBL29525400 0.83 POLB (0.59) POLBMAPTMEN1KMT2AACHE
SCHEMBL473212 0.83 ATM (0.47) MAPTMEN1KMT2ARAB9AL3MBTL1
SCHEMBL6537087 0.83 POLB (0.59) POLBMAPTMEN1KMT2AACHE
SCHEMBL1803105 0.83 POLB (0.59) POLBMAPTMEN1KMT2AACHE
SCHEMBL29728559 0.82 PTPN1 (0.49) POLBMAPTMEN1KMT2AL3MBTL1
SCHEMBL1837507 0.82 POLB (0.57) POLBMAPTMEN1KMT2AACHE
SCHEMBL742810 0.82 ACHE (0.62) POLBMAPTMEN1KMT2AACHE

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-20190031627-A1 A KIND OF ISOTHIAZOLE OXIME ETHER-CONTAINING STROBILURIN DERIVATIVES AND ITS PREPARATION METHODS AND APPLICATION NANKAI UNIVERSITY (CN) 2019-01-31 US claimed
CN-104359990-B A kind of analyzing detecting method of (S) or (R)-4-chloro-3-hydroxyl butyronitrile 浙江海正药业股份有限公司 2016-09-07 CN claimed
CN-104359990-A Analysis and detection method of (S) or (R)-4-chlorine-3-hydroxyl butyronitrile ZHEJIANG HISUN PHARM CO LTD 2015-02-18 CN claimed
CN-103604894-A Method for separating and determining bortezomib chiral isomers through high-performance liquid chromatography SHENZHEN MAIN LUCK PHARMACEUTICALS INC 2014-02-26 CN claimed
CN-102297905-A HPLC (High Performance Liquid Chromatography) method for utilizing chiral column to separate, identify and prepare monomer matter from cucurbitacin mixture 2011-12-28 CN claimed
EP-3795561-B1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2024-11-06 EP disclosed
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
US-11716992-B2 5A5B6C tricyclic spirolactone derivative, preparation method therefor and use thereof NANKAI UNIVERSITY (CN) 2023-08-08 US disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
CN-112020493-B Method for producing urethane and method for producing isocyanate 旭化成株式会社 2023-04-21 CN disclosed
WO-1999058530-A1 WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 1999-11-18 WO disclosed
EP-0957101-A1 Water soluble azoles as broad-spectrum antifungals JANSSEN PHARMACEUTICA N.V. (BE) 1999-11-17 EP disclosed
WO-1999047228-A1 IMPROVED METHOD FOR ENRICHING OPTICAL ISOMERS BY MEANS OF SIMULATED MOBILE BED NOVASEP S.A. (FR) 1999-09-23 WO disclosed
WO-1999002496-A1 (+)-NORCISAPRIDE USEFUL FOR 5-HT3 AND 5-HT4 MEDIATED DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-21 WO disclosed
WO-1998034934-A1 AMINO ACID ESTER CONTAINING AZOLE ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 1998-08-13 WO disclosed
CN-1126628-A Simulated moving bed chromatographic separation process DAICEL CHEM (JP) 1996-07-17 CN disclosed
US-4497887-A Thermal development type diazo copying material with hydrophobic resin encapsulated coupler particle Ricoh Compay, Ltd. (JP) 1985-02-05 US disclosed
US-4226883-A Carbamate derivatives and method for manufacture thereof YAMAMOTO IZURU 1980-10-07 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 (2 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-11716992-B2 5A5B6C tricyclic spirolactone derivative, preparation method therefor and use thereof CYP51A1, CYP4B1, CYP7B1 POLB 3740/4885MAPT 4293/4885MEN1 2183/4885
US-20190031627-A1 A KIND OF ISOTHIAZOLE OXIME ETHER-CONTAINING STROBILURIN DERIVATIVES AND ITS PREPARATION METHODS AND APPLICATION STS, CDV3, SALL4 POLB 4351/4885MAPT 2178/4885MEN1 4012/4885

“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.