SCHEMBL20185728

SCHEMBL20185728

COc1ccc(CC(=O)CBr)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.43
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 2/20 0.41
PTGS1 P23219 1/20 0.41
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
MTNR1A P48039 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MTNR1B P49286 1/20 0.38

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
SCHEMBL13061956 0.87 AKR1C3 (0.53) HSD17B10POLBAKR1C3AKR1C2PTGS1
SCHEMBL983847 0.83 HSD17B10 (0.65) HSD17B10POLBAKR1C3AKR1C2PTGS1
SCHEMBL27557248 0.83 CYP3A4 (0.49) GSK3BHSD17B10POLBAKR1C3AKR1C2
SCHEMBL2436724 0.81 ALDH1A1 (0.54) HSD17B10POLBAKR1C3AKR1C2PTGS1
SCHEMBL30046118 0.81 ALDH1A1 (0.54) HSD17B10POLBAKR1C3AKR1C2PTGS1
SCHEMBL8637464 0.81 HSD17B10 (0.46) GSK3BHSD17B10POLBAKR1C3AKR1C2
SCHEMBL1097958 0.81 HSD17B10 (0.46) GSK3BHSD17B10POLBAKR1C3AKR1C2
SCHEMBL26824456 0.81 PLA2G2A (0.48) HSD17B10POLBAKR1C3AKR1C2PTGS1
SCHEMBL13012120 0.79 HSD17B10 (0.44) GSK3BHSD17B10POLBAKR1C3AKR1C2
SCHEMBL13742193 0.78 PPARG (0.47) HSD17B10POLBHPGDKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849054-B NOTCH pathway signaling inhibitor compounds 伊莱利利公司 2020-04-28 CN disclosed
US-10450317-B2 Notch pathway signaling inhibitor compounds ELI LILLY AND COMPANY (US) 2019-10-22 US disclosed
US-10450317-B2 Notch pathway signaling inhibitor compounds ELI LILLY AND COMPANY (US) 2019-10-22 US disclosed
EP-3319967-B1 NOTCH PATHWAY SIGNALING INHIBITOR COMPOUNDS LILLY CO ELI (US) 2019-05-22 EP disclosed
US-20180148456-A1 NOTCH PATHWAY SIGNALING INHIBITOR COMPOUNDS AUDION THERAPEUTICS (NL) 2018-05-31 US disclosed
US-20180148456-A1 NOTCH PATHWAY SIGNALING INHIBITOR COMPOUNDS AUDION THERAPEUTICS (NL) 2018-05-31 US disclosed
US-20180148456-A1 NOTCH PATHWAY SIGNALING INHIBITOR COMPOUNDS AUDION THERAPEUTICS (NL) 2018-05-31 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-10450317-B2 Notch pathway signaling inhibitor compounds NOTCH1, NOTCH2, NOTCH3 GSK3B 78/4885HSD17B10 3191/4885POLB 4013/4885
US-20180148456-A1 NOTCH PATHWAY SIGNALING INHIBITOR COMPOUNDS NOTCH1, NOTCH2, NOTCH3 GSK3B 78/4885HSD17B10 3191/4885POLB 4013/4885

“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.