SCHEMBL13615449

SCHEMBL13615449

CCOC(=O)/C(C(C)=O)=C(/N)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
PARP1 P09874 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 5/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NPC1 O15118 1/20 0.42
ELANE P08246 1/20 0.42
PKM P14618 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL3403489 0.83 MAPT (0.48) LMNASMN1; SMN2TDP1KMT2AMEN1
SCHEMBL3403487 0.83 MAPT (0.48) LMNASMN1; SMN2TDP1KMT2AMEN1
SCHEMBL3398770 0.83 KMT2A (0.58) LMNASMN1; SMN2TDP1KMT2AMEN1
SCHEMBL3398766 0.83 KMT2A (0.58) LMNASMN1; SMN2TDP1KMT2AMEN1
SCHEMBL20028179 0.82 LMNA (0.47) LMNAPARP1SMN1; SMN2POLBTDP1
SCHEMBL9954776 0.78 CES2 (0.61) LMNAPARP1SMN1; SMN2POLBTDP1
SCHEMBL27395916 0.77 TSHR (0.43) LMNASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL30880275 0.77 TSHR (0.43) LMNASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL11631222 0.76 PARP1 (0.51) LMNAPARP1SMN1; SMN2KMT2AMEN1
SCHEMBL27397739 0.76 LMNA (0.55) LMNAPARP1SMN1; SMN2POLBTDP1

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 6 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-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
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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 (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-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 LMNA 961/4885PARP1 1242/4885SMN1; SMN2 630/4885

“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.