SCHEMBL3984081

SCHEMBL3984081

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HTT P42858 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 4/20 0.42
GAA P10253 1/20 0.42
AR P10275 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
MITF O75030 2/20 0.41
KDM4E B2RXH2 2/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PAX8 Q06710 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL3981762 0.84 NPC1 (0.42) ALDH1A1HTTSMN1; SMN2MAPTNPC1
SCHEMBL3982707 0.83 RAB9A (0.42) ALDH1A1HTTSMN1; SMN2MAPTGAA
SCHEMBL29528391 0.81 ALDH1A1 (0.71) ALDH1A1HTTSMN1; SMN2MAPTGAA
SCHEMBL3629114 0.81 ALDH1A1 (0.71) ALDH1A1HTTSMN1; SMN2MAPTGAA
SCHEMBL3984642 0.81 NPC1 (0.43) ALDH1A1HTTSMN1; SMN2MAPTNPC1
SCHEMBL3982702 0.80 CASP3 (0.41) ALDH1A1HTTSMN1; SMN2MAPTGAA
SCHEMBL3982684 0.80 ALDH1A1 (0.39) ALDH1A1HTTSMN1; SMN2MAPTGAA
SCHEMBL3987725 0.79 RAB9A (0.44) ALDH1A1HTTSMN1; SMN2MAPTGAA
SCHEMBL3986581 0.79 HDAC6 (0.44) ALDH1A1HTTSMN1; SMN2MAPTGAA
SCHEMBL4256858 0.79 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2MAPTGAA

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 6 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
WO-2005095366-A1 7-ARYL 1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONE DERIVATIVES AND THEIR USE AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2005-10-13 WO 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 ALDH1A1 1122/4885HTT 3829/4885SMN1; SMN2 4125/4885
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 ALDH1A1 1122/4885HTT 3829/4885SMN1; SMN2 4125/4885
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 ALDH1A1 1122/4885HTT 3829/4885SMN1; SMN2 4125/4885

“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.