SCHEMBL4344964

SCHEMBL4344964

COc1ccc(-c2noc(C)c2C(=O)O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 4/20 0.51
TSHR P16473 3/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 2/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
MEN1 O00255 3/20 0.50
PTGS2 P35354 1/20 0.49
HTT P42858 1/20 0.48
CASP6 P55212 1/20 0.47

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
SCHEMBL11518656 0.88 PTGS2 (0.51) KDM4EMCOLN3ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13615425 0.84 HTT (0.62) KDM4EMCOLN3ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL2777180 0.81 PTGS2 (0.60) KDM4EALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL4345696 0.80 GPBAR1 (0.64) KDM4EALDH1A1HSD17B10SMN1; SMN2KMT2A
SCHEMBL899594 0.77 TSHR (0.47) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPK1
SCHEMBL3862966 0.77 KMT2A (0.59) KDM4EALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL3985525 0.77 KMT2A (0.54) KDM4EHSD17B10SMN1; SMN2NPC1KMT2A
SCHEMBL30395461 0.77 KMO (0.51) ALDH1A1KMT2ATSHRGAAMEN1
SCHEMBL29058659 0.77 KMO (0.51) ALDH1A1KMT2ATSHRGAAMEN1
SCHEMBL7769050 0.76 KMT2A (0.58) ALDH1A1SMN1; SMN2MAPK1NPC1KMT2A

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
CN-116236478-A Application of aromatic heterocyclic formamide compound 浙江大学 2023-06-09 CN disclosed
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
WO-2007002214-A2 ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US 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 (2 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-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors APP, BACE1, BACE2 KDM4E 2380/4885MCOLN3 4691/4885ALDH1A1 2529/4885
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 KDM4E 2356/4885MCOLN3 4619/4885ALDH1A1 2144/4885

“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.