SCHEMBL6013833

SCHEMBL6013833

O=[N+]([O-])c1cccc(-c2ccc3c(c2)C2(CCCCC2)C(=NOCc2ccccc2)N3)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 17/20 0.61
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TDP2 O95551 2/20 0.37

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
SCHEMBL6013814 0.83 PGR (0.55) PGR
SCHEMBL6013862 0.82 PGR (0.46) PGR
SCHEMBL6013864 0.82 PGR (0.46) PGR
SCHEMBL6013825 0.81 PGR (0.46) PGR
SCHEMBL6013853 0.81 PGR (0.46) PGR
SCHEMBL4101242 0.81 PGR (0.72) PGRTDP2
SCHEMBL4101246 0.81 PGR (0.72) PGRTDP2
SCHEMBL6013826 0.77 PGR (0.37) PGR
SCHEMBL6013828 0.77 PGR (0.37) PGR
SCHEMBL3521989 0.77 PGR (1.00) PGRTDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091234-B2 Thio-oxindole derivatives WYETH (US) 2006-08-15 US disclosed
US-6946454-B2 Thio-oxindole derivatives WYETH (US) 2005-09-20 US disclosed
US-20050171186-A1 3-(1',2'-Dihydro-2'-thioxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)benzonitrile; 5'-(5-Cyano-1-methyl-1H-pyrrol-2-yl)spiro[cyclohexane-1,3'-[3H]indol]-2'-ylidenecyanamide; progesterone receptor agonist; mixture with estrone (estrogen); hormone replacement therapy, contraception; anticarcinogenic WYETH (US) 2005-08-04 US disclosed
US-20050054711-A1 Thio-oxindole derivatives WYETH 2005-03-10 US disclosed
US-6841568-B2 Thio-oxindole derivatives WYETH (US) 2005-01-11 US disclosed
US-20030225109-A1 Thio-oxindole derivatives WYETH (US) 2003-12-04 US disclosed
US-6583145-B1 Thio-oxindole derivatives WYETH 2003-06-24 US disclosed
US-6521657-B2 Indole derivatives which are agonists of the progesterone receptor and useful for treatment of carcinoma and adenocarcinomas of uterine leiomyomata, endometriosis or polycystic ovary syndorme in a mammal WYETH 2003-02-18 US disclosed
US-20020169198-A1 Thio-oxindole derivatives WYETH (US) 2002-11-14 US disclosed
US-20020103248-A1 Thio-oxindole derivatives WYETH LLC 2002-08-01 US disclosed
US-6355648-B1 COMPOUNDS AS CONTRACEPTIVES AND PROGESTERONE ANTAGONIST AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 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 (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-20020103248-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 PGR 1/4885KDM4E 2520/4885ALDH1A1 840/4885
US-20030225109-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 PGR 1/4885KDM4E 3083/4885ALDH1A1 634/4885
US-20050171186-A1 3-(1',2'-Dihydro-2'-thioxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)benzonitrile; 5'-(5-Cyano-1-methyl-1H-pyrrol-2-yl)spiro[cyclohexane-1,3'-[3H]indol]-2'-ylidenecyanamide; progesterone receptor agonist; mixture with estrone (estrogen); hormone replacement therapy, contraception; anticarcinogenic PGR, ESR1, PGRMC1 PGR 1/4885KDM4E 1129/4885ALDH1A1 395/4885
US-20020169198-A1 Thio-oxindole derivatives GPER1, PGR, ESR1 PGR 2/4885KDM4E 2896/4885ALDH1A1 373/4885
US-20050054711-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 PGR 1/4885KDM4E 2457/4885ALDH1A1 1126/4885

“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.