SCHEMBL2959124

SCHEMBL2959124

N#Cc1cccc(OCc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.55
MAOB P27338 3/20 0.53
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
SQOR Q9Y6N5 1/20 0.44
GRM5 P41594 2/20 0.43
ALOX5 P09917 1/20 0.42
TRPV3 Q8NET8 1/20 0.42
TGFBR1 P36897 1/20 0.42
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 3/20 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
SCHEMBL2524154 0.84 L3MBTL1 (0.52) MAOBGRM5ALOX5TRPV3LMNA
SCHEMBL22127150 0.83 GABRA5 (0.47) GABRA5MAOBGRM5ALOX5RAB9A
SCHEMBL9479754 0.81 MAOB (0.50) GABRA5MAOBGABRG2GABRB3GABRA3
SCHEMBL2952806 0.77 GABRA5 (0.49) GABRA5GABRG2GABRB3GABRA3SQOR
SCHEMBL7406977 0.76 LTB4R (0.52) GABRA5MAOBGABRG2GABRB3GABRA3
SCHEMBL31375611 0.75 MAOB (0.53) MAOBALOX5TRPV3LMNAMAPT
SCHEMBL17459263 0.75 MAOB (0.53) MAOBALOX5TRPV3LMNAMAPT
SCHEMBL601814 0.75 PDE2A (0.59) GABRA5MAOBGABRG2GABRB3GABRA3
SCHEMBL2961598 0.75 GABRA5 (0.47) GABRA5LMNAMAPTHSD17B10ALDH1A1
SCHEMBL1680654 0.74 SMN1; SMN2 (0.47) GABRA5LMNACYP1A2CYP2C19KDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9157256-A None JP disclosed
US-20220402873-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, AMELIORATING, OR TREATING PROTEINOPATHIES AUTOTAC INC. (KR) 2022-12-22 US disclosed
US-20220402873-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, AMELIORATING, OR TREATING PROTEINOPATHIES AUTOTAC INC. (KR) 2022-12-22 US disclosed
WO-2021054804-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, AMELIORATING, OR TREATING PROTEINOPATHIES 주식회사 오토텍바이오 2021-03-25 WO disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP disclosed
JP-H09157256-A ARALKYLOXYCYANOPYRIDINE COMPOUND HOKKO CHEM IND CO LTD 1997-06-17 JP 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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 GABRA5 3635/4885MAOB 4163/4885GABRG2 4381/4885
US-20220402873-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, AMELIORATING, OR TREATING PROTEINOPATHIES SQSTM1, ATG7, ATG13 GABRA5 2421/4885MAOB 4713/4885GABRG2 3118/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 GABRA5 3635/4885MAOB 4163/4885GABRG2 4381/4885

“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.