SCHEMBL4743536

SCHEMBL4743536

CC(C)C(N)C(=O)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
MME P08473 1/20 0.55
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
SLC1A2 P43004 1/20 0.54
CYP3A4 P08684 1/20 0.54
XIAP P98170 1/20 0.52
MMP8 P22894 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BACE1 P56817 1/20 0.51

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
SCHEMBL13592564 1.00 KMT2A (0.59) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL1790982 1.00 KMT2A (0.59) KMT2AMMEALDH1A1MEN1MAPT
Trifluoroacetic Acid SCHEMBL10425462 0.91 ALDH1A1 (0.53) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL10382329 0.91 BACE1 (0.64) KMT2AALDH1A1MEN1MMP8BACE1
SCHEMBL1751593 0.91 BACE1 (0.64) KMT2AALDH1A1MEN1MMP8BACE1
SCHEMBL12261267 0.91 BACE1 (0.64) KMT2AALDH1A1MEN1MMP8BACE1
SCHEMBL15623826 0.88 ERCC1 (0.47) KMT2AALDH1A1
SCHEMBL900959 0.88 KMT2A (0.58) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL900956 0.88 KMT2A (0.58) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL24050019 0.88 BACE1 (0.59) KMT2AMMEALDH1A1SLC1A2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US disclosed
WO-2008135488-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-11-13 WO disclosed
WO-2008119773-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO disclosed
WO-2008119772-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed
US-7132568-B2 Aspartyl protease inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2006-11-07 US disclosed
US-7115652-B2 Aspartyl protease inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
EP-1644322-A1 ASPARTYL PROTEASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
EP-1515944-A1 ASPARTYL PROTEASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2005-03-23 EP disclosed
WO-2005005374-A1 ASPARTYL PROTEASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2005-01-20 WO disclosed
US-20040147454-A1 Aspartyl protease inhibitors SUNESIS PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040132782-A1 Aspartyl protease inhibitors SUNESIS PHARMACEUTICALS, INC. 2004-07-08 US disclosed
WO-2003106405-A1 ASPARTYL PROTEASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2003-12-24 WO 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-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD KMT2A 3258/4885MME 4210/4885ALDH1A1 24/4885
US-20040147454-A1 Aspartyl protease inhibitors BACE1, APP, BACE2 KMT2A 3006/4885MME 28/4885ALDH1A1 2014/4885
US-20040132782-A1 Aspartyl protease inhibitors BACE1, APP, BACE2 KMT2A 3344/4885MME 32/4885ALDH1A1 1779/4885

“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.