SCHEMBL3984941

SCHEMBL3984941

CC(O)(c1ccccn1)c1cc(Br)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGFR P43088 3/20 0.35
MAPT P10636 5/20 0.35
POLB P06746 1/20 0.35
HDAC6 Q9UBN7 3/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
IDO1 P14902 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
AHR P35869 1/20 0.33
PGR P06401 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32

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
SCHEMBL3984867 0.77 MAPT (0.42) SMN1; SMN2MAPTPOLBHDAC6KDM4E
SCHEMBL18084409 0.75 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1MAPTHDAC6KDM4E
SCHEMBL30040219 0.75 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1MAPTHDAC6KDM4E
SCHEMBL29605899 0.75 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1HDAC6KDM4ENPC1
SCHEMBL26969368 0.75 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1HDAC6KDM4ENPC1
SCHEMBL12717303 0.74 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1POLBHDAC6KDM4E
SCHEMBL3985676 0.73 AR (0.33) KDM4EIDO1NPC1RAB9AMEN1
SCHEMBL3986581 0.73 HDAC6 (0.44) SMN1; SMN2PTGFRMAPTHDAC6KDM4E
SCHEMBL30788045 0.72 PGR (0.49) SMN1; SMN2MAPTPOLBKDM4EALDH1A1
SCHEMBL78315 0.72 PGR (0.49) SMN1; SMN2MAPTPOLBKDM4EALDH1A1

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 SMN1; SMN2 4125/4885L3MBTL1 4626/4885PTGFR 138/4885
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 SMN1; SMN2 4125/4885L3MBTL1 4626/4885PTGFR 138/4885
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 SMN1; SMN2 4125/4885L3MBTL1 4626/4885PTGFR 138/4885

“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.