SCHEMBL4539804

SCHEMBL4539804

COc1ccc(C2Sc3ccccc3NC(=O)C2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.63
MAPT P10636 10/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 3/20 0.47
TNKS2 Q9H2K2 1/20 0.47
MAPK1 P28482 3/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
NOX1 Q9Y5S8 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 2/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL8481864 0.84 SMN1; SMN2 (0.54) SLC2A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9427932 0.82 NOX1 (0.45) SLC2A1MAPTMEN1KMT2AALDH1A1
SCHEMBL10983954 0.79 MAPT (0.61) SLC2A1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7354934 0.77 SLC2A1 (0.56) SLC2A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10742386 0.77 SLC2A1 (0.56) SLC2A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9602657 0.76 SMN1; SMN2 (0.72) SLC2A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8144156 0.74 SLC2A1 (0.52) SLC2A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5020108 0.74 HSD17B10 (0.73) SLC2A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7327312 0.74 HSD17B10 (0.73) SLC2A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30520180 0.74 HSD17B10 (0.73) SLC2A1MAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290362-A Process for preparing benzothiazepine isomers 山东新华制药股份有限公司 2024-07-05 CN claimed
US-5945533-A Process for preparing optically active benzothiazepine compound and intermediate therefor TANABE SEIYAKU CO., LTD. (JP) 1999-08-31 US claimed
EP-0826678-A1 Process for preparing optically active benzothiazepine compound, and intermediate therefor TANABE SEIYAKU CO., LTD. (JP) 1998-03-04 EP claimed
CN-118290362-A Process for preparing benzothiazepine isomers 山东新华制药股份有限公司 2024-07-05 CN disclosed
CN-118291562-A Preparation method of (2S, 3S) -2, 3-dihydro-3-hydroxy-2-aryl-1, 5-benzothiazepine-4 (5H) -ketone compound 复旦大学 2024-07-05 CN disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
EP-2638007-A2 DRUG DERIVATIVES Redx Pharma Limited (GB) 2013-09-18 EP disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 WO disclosed
EP-1025080-B1 PROCESS FOR THE RECYCLE OF A WASTE PRODUCT OF DILTIAZEM SYNTHESIS ZAMBON SPA (IT) 2003-01-08 EP disclosed
US-6114523-A Process for the recycle of a waste product of diltiazem synthesis ZAMON GROUP S.P.A. (IT) 2000-09-05 US disclosed
EP-1025080-A1 PROCESS FOR THE RECYCLE OF A WASTE PRODUCT OF DILTIAZEM SYNTHESIS ZAMBON GROUP S.p.A. (IT) 2000-08-09 EP disclosed
US-5945533-A Process for preparing optically active benzothiazepine compound and intermediate therefor TANABE SEIYAKU CO., LTD. (JP) 1999-08-31 US disclosed
WO-1999020603-A1 PROCESS FOR THE RECYCLE OF A WASTE PRODUCT OF DILTIAZEM SYNTHESIS ZAMBON GROUP S.P.A. (IT) 1999-04-29 WO disclosed
EP-0826678-A1 Process for preparing optically active benzothiazepine compound, and intermediate therefor TANABE SEIYAKU CO., LTD. (JP) 1998-03-04 EP disclosed
US-5310904-A Intermediate TANABE SEIYAKU CO., LTD. (JP) 1994-05-10 US disclosed
EP-0551076-A1 Process for preparing optically active benzothiazepine compounds by asymmetric reduction TANABE SEIYAKU CO., LTD. (JP) 1993-07-14 EP 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 (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-20130225594-A1 DRUG DERIVATIVES SQOR, NQO1, CYP2D6 SLC2A1 1292/4885MAPT 1762/4885MEN1 3169/4885

“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.