SCHEMBL5020109

SCHEMBL5020109

COc1ccc(C2=C(OC(C)=O)C(=O)Nc3ccccc3S2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NOX1 Q9Y5S8 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GGT1 P19440 1/20 0.44
▸ BACE1 P56817 1/20 0.41

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
SCHEMBL10636998 0.89 SNCA (0.49) MEN1GAAMAPTHTTKMT2A
SCHEMBL9428199 0.85 NOX1 (0.46) MEN1MAPTKMT2AALDH1A1NOX1
SCHEMBL9171801 0.81 MAPT (0.54) MEN1GAAMAPTHTTKMT2A
SCHEMBL9427946 0.77 MAPT (0.44) MEN1GAAMAPTKMT2ASMN1; SMN2
SCHEMBL10772188 0.71 GAA (0.44) MEN1GAAMAPTHTTKMT2A
SCHEMBL7430660 0.70 MEN1 (0.52) MEN1GAAMAPTHTTKMT2A
Hydrochloric Acid SCHEMBL11369211 0.69 BCHE (0.42) —
SCHEMBL2609258 0.69 NOX1 (0.66) MEN1GAAMAPTHTTKMT2A
SCHEMBL5746504 0.69 NPC1 (0.69) MEN1GAAMAPTHTTKMT2A
SCHEMBL5746497 0.69 NPC1 (0.69) MEN1GAAMAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60025981-A — — None — — JP 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-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
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
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
JP-S6025981-A BENZOTHIAZEPINE DERIVATIVE AND ITS PREPARATION TANABE SEIYAKU CO LTD 1985-02-08 — — 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 (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 MEN1 3169/4885GAA 425/4885MAPT 1762/4885

“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.

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