SCHEMBL4336589

SCHEMBL4336589

Cc1noc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 5/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
FFAR4 Q5NUL3 1/20 0.45
ALOX5 P09917 2/20 0.44
ALOX5AP P20292 2/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 3/20 0.44
BACE1 P56817 1/20 0.42
ATM Q13315 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
CDH1 P12830 1/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
LMNA P02545 1/20 0.41
DHODH Q02127 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
SCHEMBL11518747 0.87 MAPT (0.51) MAPTKDM4ENPC1NPSR1L3MBTL1
SCHEMBL15280716 0.87 RAB9A (0.52) MAPTKDM4ENPC1NPSR1L3MBTL1
SCHEMBL14789796 0.85 RAB9A (0.51) MAPTKDM4ENPC1NPSR1L3MBTL1
SCHEMBL13508 0.85 PTGS1 (0.51) MAPTKDM4EALDH1A1SMN1; SMN2DHODH
SCHEMBL22467553 0.85 ALDH1A1 (0.46) MAPTKDM4ENPC1NPSR1ALDH1A1
SCHEMBL928538 0.85 PTGS1 (0.54) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL14711420 0.84 NPC1 (0.40) MAPTKDM4ENPC1NPSR1ALDH1A1
SCHEMBL4332210 0.84 CYP1A2 (0.47) MAPTKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL1563 0.84 PTPN1 (0.47) MAPTKDM4ENPC1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL19119250 0.83 PTGS1 (0.53) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A

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
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
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 MAPT 112/4885KDM4E 2380/4885NPC1 1374/4885
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 MAPT 96/4885KDM4E 2356/4885NPC1 531/4885

“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.