SCHEMBL3986047

SCHEMBL3986047

CCC(O)(c1cccs1)c1cc(Br)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
CHRM3 P20309 3/20 0.35
ESR1 P03372 1/20 0.34
KCNH2 Q12809 1/20 0.33
HDAC2 Q92769 8/20 0.32
HDAC3 O15379 7/20 0.32
HDAC1 Q13547 7/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3983090 0.82 HDAC1 (0.36) POLBKCNH2HDAC2HDAC3HDAC1
SCHEMBL3987892 0.81 KCNH2 (0.37) POLBKCNH2HDAC2HDAC3HDAC1
SCHEMBL3984913 0.75 CASP3 (0.39) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL4846403 0.75 MAPT (0.38) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL4126225 0.73 KDM4E (0.39) POLBESR1HDAC1MAPTALDH1A1
SCHEMBL8274519 0.70 ESR1 (0.38) POLBCHRM3ESR1MAPTALDH1A1
SCHEMBL27463664 0.68 CHRM3 (0.42) CHRM3ESR1MEN1KMT2A
SCHEMBL10408240 0.68 KDM4E (0.36) POLBESR1MAPTALDH1A1MEN1
SCHEMBL5684867 0.67 ESR1 (0.41) CHRM3ESR1MAPTALDH1A1KMT2A
SCHEMBL28855768 0.67 ESR1 (0.41) CHRM3ESR1MAPTALDH1A1KMT2A

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 POLB 4770/4885CHRM3 467/4885ESR1 5/4885
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 POLB 4770/4885CHRM3 467/4885ESR1 5/4885
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 POLB 4770/4885CHRM3 467/4885ESR1 5/4885

“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.