SCHEMBL1561992

SCHEMBL1561992

N[C@H]1C(=O)Nc2cc(F)ccc2O[C@H]1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.43
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TP53 P04637 1/20 0.37
BRD4 O60885 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
AKR1B1 P15121 1/20 0.34
EGFR P00533 2/20 0.33
GFER P55789 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1562385 1.00 PARP1 (0.43) PARP1HSD17B10ALOX15TLR9TP53
SCHEMBL1561799 0.82 L3MBTL1 (0.38) PARP1HSD17B10TP53BRD4AKR1B1
SCHEMBL1561648 0.81 HSD17B10 (0.41) PARP1HSD17B10ALOX15TLR9TP53
SCHEMBL1562344 0.81 HSD17B10 (0.41) PARP1HSD17B10ALOX15TLR9TP53
SCHEMBL1562770 0.80 L3MBTL1 (0.44) PARP1HSD17B10TP53AKR1B1PGR
SCHEMBL1561760 0.80 L3MBTL1 (0.44) PARP1HSD17B10TP53AKR1B1PGR
SCHEMBL8340247 0.80 MAOB (0.40) PARP1HSD17B10ALOX15TP53BRD4
SCHEMBL1562026 0.75 PARP1 (0.40) PARP1BRD4AKR1B1PGRNR3C2
SCHEMBL14395139 0.74
SCHEMBL1562725 0.74 HSD17B10 (0.43) PARP1HSD17B10ALOX15TP53PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828151-B1 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2011-04-06 EP disclosed
EP-1828151-A2 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2007-09-05 EP disclosed
US-7211573-B2 Malonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
WO-2006061136-A2 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 WO disclosed
US-20060122168-A1 Malonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 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 (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-20060122168-A1 Malonamide derivatives ACE, REN, ME1 PARP1 1621/4885HSD17B10 463/4885ALOX15 2930/4885

“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.