SCHEMBL441277

SCHEMBL441277

C1=NCOc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.42
ABCG2 Q9UNQ0 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
LMNA P02545 2/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
ALOX5 P09917 1/20 0.32
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
UBE2N P61088 1/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL29281312 0.84 TRPA1 (0.33) TRPA1
SCHEMBL28450931 0.84 TRPA1 (0.33) TRPA1ALOX5TSHRPKM
SCHEMBL8368487 0.84 TRPA1 (0.37) TRPA1ABCG2ITGB2ICAM1ITGAL
SCHEMBL8368483 0.84 TRPA1 (0.37) TRPA1ABCG2ITGB2ICAM1ITGAL
SCHEMBL29501154 0.78 ITGB2 (0.46) TRPA1ABCG2ITGB2ICAM1ITGAL
SCHEMBL3757406 0.78 ITGB2 (0.46) TRPA1ABCG2ITGB2ICAM1ITGAL
SCHEMBL30094684 0.78 TRPA1 (0.39) TRPA1ABCG2ITGB2ICAM1ITGAL
SCHEMBL8182698 0.75 ITGB2 (0.43) TRPA1ABCG2ITGB2ICAM1ITGAL
SCHEMBL7937315 0.71 MAPT (0.37) SMN1; SMN2HTTMAPTMAPK1PKM
SCHEMBL30804211 0.71 MAPT (0.40) TRPA1LMNAHTTALOX5TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076059-A1 ROCAGLATE DERIVATIVES AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2025-04-10 WO claimed
US-12030992-B2 Photocurable composition CANON KABUSHIKI KAISHA (JP) 2024-07-09 US claimed
CN-116589426-A Method for synthesizing chiral 1, 3-benzoxazine derivative 常州大学 2023-08-15 CN claimed
CN-116283815-B Preparation method of 1, 3-benzoxazine compound 嘉实(湖南)医药科技有限公司 2023-08-08 CN claimed
CN-116283815-A Preparation method of 1, 3-benzoxazine compound 嘉实(湖南)医药科技有限公司 2023-06-23 CN claimed
CN-111019646-B Preparation and application of naphthalimide pyrrolo [2,1-b ] [1,3] benzoxazine derivative CN-probe 湖北工业大学 2023-03-31 CN claimed
EP-4137543-A1 COMPOSITION FOR PRODUCING A SHEET-LIKE SEMIFINISHED PRODUCT Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2023-02-22 EP claimed
EP-2606037-B1 NOVEL COMPOSITIONS AND METHODS TO PRODUCE TRIAZINE-ARYLHYDROXY-ALDEHYDE CONDENSATES WITH IMPROVED SOLUBILITY BAKELITE UK HOLDING LTD (GB) 2022-05-25 EP claimed
CN-113106473-B Method for preparing 1, 3-benzoxazine derivative through continuous electrochemical microreactor device 南京工业大学 2022-02-18 CN claimed
CN-113106473-A Method for preparing 1, 3-benzoxazine derivative through continuous electrochemical microreactor device 南京工业大学 2021-07-13 CN claimed
CN-100358887-C m-aminophenol derivatives and dyes containing these compounds P & G CLAIROL INC (US) 2008-01-02 CN claimed
US-6982263-B2 Nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-03 US claimed
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP claimed
US-6905590-B2 Coating composition containing benzoxazine compound NIPPON PAINT CO., LTD. (JP) 2005-06-14 US claimed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP claimed
US-20030119827-A1 Novel nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-06-26 US claimed
WO-2002100849-A2 NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-19 WO claimed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO claimed
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 EP claimed
US-4895944-A BACTERICIDE OFLOXACIN DAIICHI SEIYAKU COMPANY, LTD. (JP) 1990-01-23 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030119827-A1 Novel nitriles useful as reversible inhibitors of cysteine proteases NOS1, CTSK, CTSS TRPA1 2949/4885ABCG2 2665/4885ITGB2 2669/4885

“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.