SCHEMBL3981602

SCHEMBL3981602

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 3/20 0.48
MAPK1 P28482 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
MITF O75030 1/20 0.44
THRB P10828 1/20 0.44
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
PAX8 Q06710 1/20 0.40
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6266974 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTMAPK1RAB9A
SCHEMBL6271786 0.80 NPC1 (0.45) ALDH1A1SMN1; SMN2HTTMAPK1RAB9A
SCHEMBL29528391 0.78 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2HTTRAB9AKDM4E
SCHEMBL3629114 0.78 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2HTTRAB9AKDM4E
SCHEMBL30613082 0.78 NPC1 (0.57) ALDH1A1SMN1; SMN2HTTMAPK1RAB9A
SCHEMBL10603799 0.78 NPC1 (0.57) ALDH1A1SMN1; SMN2HTTMAPK1RAB9A
SCHEMBL6271501 0.76 POLB (0.44) ALDH1A1SMN1; SMN2HTTMAPK1RAB9A
SCHEMBL23973932 0.75 NPC1 (0.58) ALDH1A1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL1119860 0.75 AAK1 (0.61) ALDH1A1SMN1; SMN2HTTMAPK1RAB9A
SCHEMBL4256860 0.75 LPAR1 (0.45) ALDH1A1SMN1; SMN2HTTMAPK1RAB9A

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 1122/4885SMN1; SMN2 4125/4885HTT 3829/4885
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 1122/4885SMN1; SMN2 4125/4885HTT 3829/4885
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 1122/4885SMN1; SMN2 4125/4885HTT 3829/4885

“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.