SCHEMBL3526223

SCHEMBL3526223

CC1(C)C(=O)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 16/20 1.00
TDP2 O95551 2/20 0.51
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49

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
SCHEMBL1841727 0.84 PGR (0.71) PGRPDE3BPDE3A
SCHEMBL31251189 0.84 PGR (0.71) PGRPDE3BPDE3A
SCHEMBL3525721 0.83 PGR (1.00) PGRPDE3BPDE3A
SCHEMBL5230365 0.82 PGR (1.00) PGRTDP2PDE3BPDE3A
SCHEMBL3521989 0.81 PGR (1.00) PGRTDP2
SCHEMBL3877014 0.80 PGR (0.76) PGR
SCHEMBL3521399 0.78 PGR (1.00) PGRPDE3BPDE3A
SCHEMBL3520070 0.78 PGR (0.91) PGRTDP2
SCHEMBL14311716 0.78 PGR (0.63) PGRTDP2MMP2MMP9MMP8
Ammonia Solution, Strong SCHEMBL27558922 0.77 PGR (0.97) PGRPDE3BPDE3A

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175398-B1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS WYETH CORP (US) 2007-07-11 EP claimed
US-7084168-B2 Indoline derivatives WYETH (US) 2006-08-01 US claimed
US-20030220388-A1 Amides such as 5-(3-Nitrophenyl)-1,3-dihydro-indol-2-one, used as antiprogesterones, contraceptives, for hormone replacement therapy during menopause and as anticarcinogenic agents WYETH 2003-11-27 US claimed
US-6544970-B2 Administering in a first phase of a progestational agent (levonorgestrel or ethinylestradiol) and in a second phase an antiprogestin that is an indolinone derivative, especially a 3-spiroalkylene derivative WYETH 2003-04-08 US claimed
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives WYETH 2003-03-13 US claimed
JP-2002543158-A 2002-12-17 JP claimed
JP-2002543183-A 2002-12-17 JP claimed
US-6462032-B1 Cyclic regimens utilizing indoline derivatives WYETH 2002-10-08 US claimed
US-20020086874-A1 Indoline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-07-04 US claimed
CN-1350523-A Indoline derivatives as progesterone antagonists AMERICAN HOME PROD (US) 2002-05-22 CN claimed
CN-1349416-A Contraceptive compositions contaiing indoline derivatives and progestational agents AMERICAN HOME PROD (US) 2002-05-15 CN claimed
EP-1175398-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS American Home Products Corporation (US) 2002-01-30 EP claimed
EP-1173212-A1 CONTRACEPTIVE COMPOSITIONS CONTANING INDOLONE DERIVATIVES AND PROGESTATIONAL AGENTS American Home Products Corporation (US) 2002-01-23 EP claimed
WO-2000066167-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING INDOLINE DERIVATIVES AND PROGESTATIONAL AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO claimed
WO-2000066556-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO claimed
US-7645761-B2 Indoline derivatives WYETH (US) 2010-01-12 US disclosed
US-20070259944-A1 Indoline derivatives WYETH (US) 2007-11-08 US disclosed
EP-1173212-A1 CONTRACEPTIVE COMPOSITIONS CONTANING INDOLONE DERIVATIVES AND PROGESTATIONAL AGENTS American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066167-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING INDOLINE DERIVATIVES AND PROGESTATIONAL AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066556-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS 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 (4 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-20070259944-A1 Indoline derivatives PGR, GNRHR, PRLHR PGR 1/4885TDP2 2911/4885PDE3B 2186/4885
US-20020086874-A1 Indoline derivatives PGR, GNRHR, PRLHR PGR 1/4885TDP2 2833/4885PDE3B 2875/4885
US-20030220388-A1 Amides such as 5-(3-Nitrophenyl)-1,3-dihydro-indol-2-one, used as antiprogesterones, contraceptives, for hormone replacement therapy during menopause and as anticarcinogenic agents PGR, CYP19A1, PGRMC1 PGR 1/4885TDP2 3139/4885PDE3B 1951/4885
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives PRLHR, GNRHR, BRCA1 PGR 5/4885TDP2 4454/4885PDE3B 684/4885

“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.