SCHEMBL3984642

SCHEMBL3984642

O=C(CCl)Nc1ccc(Br)cc1C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
HTT P42858 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
OGT O15294 1/20 0.42
ALDH1A1 P00352 8/20 0.42
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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 0.87 NPC1 (0.42) NPC1HTTNPSR1ALDH1A1MAPK1
SCHEMBL4256858 0.84 ALDH1A1 (0.46) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL3982719 0.83 ALDH1A1 (0.37) NPC1HTTNPSR1ALDH1A1POLB
SCHEMBL3984081 0.81 ALDH1A1 (0.48) NPC1HTTNPSR1ALDH1A1MAPK1
SCHEMBL3987725 0.80 RAB9A (0.44) NPC1HTTNPSR1ALDH1A1MAPK1
SCHEMBL3984353 0.78 ALDH1A1 (0.45) NPC1HTTNPSR1ALDH1A1MAPK1
SCHEMBL3982967 0.78 ALDH1A1 (0.44) NPC1HTTALDH1A1MAPK1MEN1
SCHEMBL3986581 0.75 HDAC6 (0.44) NPC1HTTALDH1A1MEN1KMT2A
SCHEMBL23973932 0.74 NPC1 (0.58) NPC1HTTALDH1A1POLBMEN1
SCHEMBL10603799 0.74 NPC1 (0.57) NPC1HTTALDH1A1MAPK1MEN1

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 NPC1 1849/4885HTT 3829/4885NPSR1 35/4885
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 NPC1 1849/4885HTT 3829/4885NPSR1 35/4885
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 NPC1 1849/4885HTT 3829/4885NPSR1 35/4885

“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.