SCHEMBL3526245

SCHEMBL3526245

CC1C(=O)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 14/20 1.00
▸ TDP2 O95551 2/20 0.46
▸ MAPT P10636 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 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
SCHEMBL11427314 0.84 PGR (0.72) PGRTDP1
SCHEMBL10715133 0.84 PGR (0.72) PGRTDP2MAPTMMP2MMP9
SCHEMBL3523315 0.80 PGR (0.66) PGRTDP2MAPTMMP2MMP9
SCHEMBL10712231 0.77 PGR (0.62) PGRTDP2MAPTMMP2MMP9
SCHEMBL6766301 0.76 PGR (0.61) PGRTDP2MAPTMMP2MMP9
SCHEMBL3020600 0.75 PGR (0.65) PGR
SCHEMBL6539077 0.74 PGR (0.61) PGRTDP2MAPTMMP2MMP9
SCHEMBL6541741 0.74 PGR (0.61) PGRTDP2MAPTMMP2MMP9
SCHEMBL6540904 0.74 PGR (0.61) PGRTDP2MAPTMMP2MMP9
SCHEMBL6541086 0.73 PGR (0.58) PGRTDP2MAPTMMP2MMP9

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 24 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
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
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
US-7645761-B2 Indoline derivatives WYETH (US) 2010-01-12 — — US disclosed
US-20070259944-A1 Indoline derivatives WYETH (US) 2007-11-08 — — US disclosed
US-7253203-B2 Indoline derivatives WYETH (US) 2007-08-07 — — US disclosed
EP-1175398-B1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS WYETH CORP (US) 2007-07-11 — — EP disclosed
US-7084168-B2 Indoline derivatives WYETH (US) 2006-08-01 — — US disclosed
US-6462032-B1 Cyclic regimens utilizing indoline derivatives WYETH 2002-10-08 — — US disclosed
US-20020086874-A1 Indoline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-07-04 — — US disclosed
US-6391907-B1 ANTICANCER AGENTS; CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 — — 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

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 2911/4885MAPT 2501/4885
US-20020086874-A1 Indoline derivatives PGR, GNRHR, PRLHR PGR 1/4885TDP2 2833/4885MAPT 2508/4885
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 3139/4885MAPT 3746/4885
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives PRLHR, GNRHR, BRCA1 PGR 5/4885TDP2 4454/4885MAPT 4533/4885

“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.

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