SCHEMBL3985155

SCHEMBL3985155

O=C(CCl)Nc1ccc(Br)cc1C(O)(c1ccco1)C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 5/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 5/20 0.36
ALDH1A1 P00352 7/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
AR P10275 2/20 0.34
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.32
SHMT2 P34897 1/20 0.32
GRK2 P25098 1/20 0.32
RECQL P46063 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3987725 0.85 RAB9A (0.44) RAB9ASMN1; SMN2NPC1ALOX15MAPT
SCHEMBL3982707 0.83 RAB9A (0.42) RAB9ASMN1; SMN2NPC1ALOX15MAPT
SCHEMBL3982654 0.81 RAB9A (0.41) RAB9ASMN1; SMN2NPC1ALOX15MAPT
SCHEMBL3984081 0.74 ALDH1A1 (0.48) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL3984642 0.70 NPC1 (0.43) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL3982719 0.69 ALDH1A1 (0.37) RAB9ASMN1; SMN2NPC1ALOX15MAPT
SCHEMBL23973932 0.69 NPC1 (0.58) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL3981762 0.69 NPC1 (0.42) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL6269443 0.68 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2NPC1ALOX15MAPT
SCHEMBL6268774 0.67 SMN1; SMN2 (0.39) RAB9ASMN1; SMN2NPC1ALOX15MAPT

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 RAB9A 3792/4885SMN1; SMN2 4125/4885NPC1 1849/4885
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 RAB9A 3792/4885SMN1; SMN2 4125/4885NPC1 1849/4885
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 RAB9A 3792/4885SMN1; SMN2 4125/4885NPC1 1849/4885

“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.