SCHEMBL4164682

SCHEMBL4164682

CCOC(=O)c1nc(-c2cccc(Br)c2)ns1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.46
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALOX5 P09917 3/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CACNA1F O60840 1/20 0.43
ABCB1 P08183 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
PTGES O14684 1/20 0.43
CYP19A1 P11511 2/20 0.43
CYP1A2 P05177 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL18614346 0.84 MAPT (0.54) NPC1RAB9AALDH1A1L3MBTL1CYP1A2
SCHEMBL16370488 0.84 ALDH1A1 (0.59) NFKB1NFKB2RELANPC1RAB9A
SCHEMBL20501819 0.81 MAPT (0.55) FOSJUNNFKB1NFKB2RELA
SCHEMBL4122529 0.81 PPARD (0.43) NPC1ALDH1A1L3MBTL1MAPTHPGD
SCHEMBL27508760 0.80 CYP19A1 (0.48) NPC1RAB9AALDH1A1L3MBTL1CYP19A1
SCHEMBL2185352 0.79 ALDH1A1 (0.41) NPC1RAB9AALOX5ALDH1A1L3MBTL1
SCHEMBL4114732 0.79 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTHPGDHSD17B10
SCHEMBL4119854 0.79 ABL1 (0.47) RAB9AALOX5PTGESCYP1A2MAPT
SCHEMBL14527733 0.78 ALDH1A1 (0.45) NPC1RAB9AALDH1A1L3MBTL1CYP1A2
SCHEMBL4111546 0.78 PPARD (0.46) ALDH1A1L3MBTL1MAPTHPGDHSD17B10

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111802-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2009-04-30 US disclosed
US-7488822-B2 Cyclocarbamate derivatives as progesterone receptor modulators WYETH (US) 2009-02-10 US disclosed
US-20040186101-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2004-09-23 US disclosed
EP-1173210-B1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC WYETH CORP (US) 2004-09-15 EP disclosed
US-6759408-B2 CYCLIC COMBINATION THERAPIES AND REGIMENS UTILIZING SUBSTITUTED INDOLINE DERIVATIVE COMPOUNDS WHICH ARE ANTAGONISTS OF THE PROGESTERONE RECEPTOR WYETH 2004-07-06 US disclosed
US-6713478-B2 SUCH AS 8-BROMO-6-(3-CHLORO-4-FLUOROPHENYL)-4,4-DIMETHYL-1,4-DIHYDRO-2H-3,1 -BENZOXAZIN-2-ONE; PROGESTERONE RECEPTOR ANTAGONISTS WYETH 2004-03-30 US disclosed
US-20030216388-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2003-11-20 US disclosed
US-6566358-B2 1,4-dihydro-benzo(d)oxazin-2-one derivatives useful for treating hormone-dependent neoplastic disease is selected from uterine myometrial fibroids, endometriosis, benign prostatic hypertrophy, carcinomas, and adenocarcinoma WYETH 2003-05-20 US disclosed
US-20030045511-A1 Combination regimens using progesterone receptor modulators WYETH 2003-03-06 US disclosed
US-6509334-B1 This invention relates to compounds that antagonists of the progesterone receptor, their preparation and utility. Intracellular receptors (IR) form a class of structurally related gene regulators known as \"ligand dependent AMERICAN HOME PRODUCTS CORPORATION 2003-01-21 US disclosed
US-6444668-B1 IN COMBINATION WITH A PROGESTIN, AN ESTROGEN, OR BOTH; ANTIPROGESTIN IS A 1,4-DIHYDRO-BENZO(D)(1.3)OXAZIN-2-ONE WYETH 2002-09-03 US disclosed
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2002-04-25 US disclosed
EP-1173210-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC American Home Products Corporation (US) 2002-01-23 EP disclosed
EP-1173426-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066164-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066571-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO 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 (5 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-20030045511-A1 Combination regimens using progesterone receptor modulators GNRHR, PGR, PRLHR FOS 905/4885JUN 1452/4885NFKB1 2181/4885
US-20030216388-A1 Cyclocarbamate derivatives as progesterone receptor modulators NR3C2, NR5A1, PGR FOS 1585/4885JUN 2418/4885NFKB1 994/4885
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators NR3C1, NR5A1, CNR1 FOS 498/4885JUN 1517/4885NFKB1 1346/4885
US-20040186101-A1 Cyclocarbamate derivatives as progesterone receptor modulators PGR, NR3C2, NR5A1 FOS 1838/4885JUN 2763/4885NFKB1 1073/4885
US-20090111802-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS PGR, NR5A1, NR3C1 FOS 2058/4885JUN 3115/4885NFKB1 1009/4885

“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.