SCHEMBL3982545

SCHEMBL3982545

O=C1COC(c2cccs2)c2cc(Br)ccc2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NSD2 O96028 1/20 0.38
CMA1 P23946 1/20 0.38
AHR P35869 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
PGR P06401 1/20 0.35
TP53 P04637 3/20 0.34

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
SCHEMBL3984387 0.80 PGR (0.47) MAPTALDH1A1POLBMAPK1CYP1A2
SCHEMBL6272948 0.78 MAPT (0.54) MAPTL3MBTL1KDM4EATMALDH1A1
SCHEMBL3983055 0.77 PGR (0.67) MAPTALDH1A1POLBMAPK1CYP1A2
SCHEMBL3985264 0.75 PGR (0.39) MAPTALDH1A1POLBMAPK1CYP1A2
SCHEMBL3985408 0.74 PGR (0.68) PGR
SCHEMBL3982563 0.73 PGR (0.54) MAPTL3MBTL1ALDH1A1POLBKMT2A
SCHEMBL3987793 0.67 PGR (0.63) CMA1AHRPGR
SCHEMBL3987415 0.65 PGR (0.64) PGR
SCHEMBL3981787 0.63 PGR (0.66) PGR
SCHEMBL3981729 0.63 PGR (0.66) CMA1AHRPGR

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
US-7598237-B2 7-aryl 1,5-dihydro-4,1-benzoxazepin-2(3H)-one derivatives and their use as progesterone receptor modulators WYETH (US) 2009-10-06 US disclosed
US-20080139530-A1 7-Aryl 1,5-Dihydro-4,1-Benzoxazepin-2(3H)-One Derivatives And Their Use As Progesterone Receptor Modulators WYETH (US) 2008-06-12 US disclosed
US-20080113964-A1 7-Aryl 1,5-Dihydro-4,1-Benzoxazepin-2(3H)-One Derivatives and Their Use As Progesterone Receptor Modulators WYETH (US) 2008-05-15 US disclosed
US-7323455-B2 7-aryl 1,5-dihydro-4,1-benzoxazepin-2(3H)-one derivatives and their use as progesterone receptor modulators WYETH (US) 2008-01-29 US disclosed
US-20050215539-A1 7-aryl 1,5-dihydro-4, 1-benzoxazepin-2(3H)-one derivatives and their use as progesterone receptor modulators WYETH (US) 2005-09-29 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 (3 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-20080113964-A1 7-Aryl 1,5-Dihydro-4,1-Benzoxazepin-2(3H)-One Derivatives and Their Use As Progesterone Receptor Modulators PGR, GPER1, PGRMC2 MAPT 3953/4885L3MBTL1 4626/4885KDM4E 859/4885
US-20080139530-A1 7-Aryl 1,5-Dihydro-4,1-Benzoxazepin-2(3H)-One Derivatives And Their Use As Progesterone Receptor Modulators PGR, GPER1, PGRMC2 MAPT 3953/4885L3MBTL1 4626/4885KDM4E 859/4885
US-20050215539-A1 7-aryl 1,5-dihydro-4, 1-benzoxazepin-2(3H)-one derivatives and their use as progesterone receptor modulators PGR, GPER1, PGRMC2 MAPT 3953/4885L3MBTL1 4626/4885KDM4E 859/4885

“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.