SCHEMBL3984867

SCHEMBL3984867

CC(O)(c1ccccc1)c1cc(Br)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
PGR P06401 1/20 0.36
KIF11 P52732 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL547313 0.80 PGR (0.49) PGRKIF11KMT2ACYP3A4MAPK1
SCHEMBL4961089 0.80 PGR (0.49) PGRKIF11KMT2ACYP3A4MAPK1
SCHEMBL547466 0.80 PGR (0.49) PGRKIF11KMT2ACYP3A4MAPK1
SCHEMBL3990955 0.78 KCNH2 (0.36) MAPTKDM4EGLAPTGDR2HDAC6
SCHEMBL78315 0.78 PGR (0.49) MAPTPOLBKDM4EGLAPTGDR2
SCHEMBL30788045 0.78 PGR (0.49) MAPTPOLBKDM4EGLAPTGDR2
SCHEMBL10709575 0.78 KMT2A (0.41) MAPTPGRHSP90AA1HSP90AB1KMT2A
SCHEMBL3984941 0.77 SMN1; SMN2 (0.42) MAPTPOLBKDM4EGLAHDAC6
SCHEMBL3983090 0.75 HDAC1 (0.36) MAPTPOLBKDM4EGLAHDAC2
SCHEMBL3985076 0.75 MAPT (0.38) MAPTPOLBKDM4EGLAPGR

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 3953/4885POLB 4770/4885KDM4E 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 3953/4885POLB 4770/4885KDM4E 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 3953/4885POLB 4770/4885KDM4E 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.