SCHEMBL3982702

SCHEMBL3982702

CC(O)(c1cccs1)c1cc(Br)ccc1NC(=O)CCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.41
CASP2 P42575 1/20 0.41
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
GPR174 Q9BXC1 1/20 0.36
CA1 P00915 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
SCHEMBL3984913 0.87 CASP3 (0.39) CASP3CASP2GAALMNAHPGD
SCHEMBL3986963 0.86 MEN1 (0.40) CASP3CASP2GAALMNAHPGD
SCHEMBL3982781 0.85 CASP3 (0.38) CASP3CASP2GAALMNAHPGD
SCHEMBL3981060 0.82 CASP3 (0.39) CASP3CASP2GAALMNAHPGD
SCHEMBL3981762 0.81 NPC1 (0.42) LMNAHPGDMEN1KMT2AALDH1A1
SCHEMBL3984081 0.80 ALDH1A1 (0.48) GAALMNAMEN1KMT2AALDH1A1
SCHEMBL3987617 0.80 ADORA2A (0.39) LMNAMEN1KMT2AALDH1A1RAB9A
SCHEMBL3982684 0.80 ALDH1A1 (0.39) GAALMNAALDH1A1RAB9ANPC1
SCHEMBL3982754 0.78 LMNA (0.43) CASP3GAALMNAHPGDALOX12
SCHEMBL3982707 0.77 RAB9A (0.42) GAALMNAMEN1KMT2AALDH1A1

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 CASP3 4399/4885CASP2 4235/4885GAA 4733/4885
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 CASP3 4399/4885CASP2 4235/4885GAA 4733/4885
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 CASP3 4399/4885CASP2 4235/4885GAA 4733/4885

“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.