SCHEMBL3525486

SCHEMBL3525486

CC1(C)COC(=O)N1c1nc(-c2ccc(C#N)c(F)c2)cs1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.41
CYP11B1 P15538 12/20 0.41
KDM1A O60341 4/20 0.41
AR P10275 1/20 0.39
SIRT5 Q9NXA8 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL4075167 0.84 ABL1 (0.47) ARMEN1GAAMAPTKMT2A
SCHEMBL4084485 0.83 NPC1 (0.41) ARMEN1GAAMAPTKMT2A
SCHEMBL4078988 0.83 GAA (0.55) ARSIRT5MEN1GAAMAPT
SCHEMBL4089532 0.82 ABL1 (0.47) ARMEN1GAAMAPTKMT2A
SCHEMBL4076674 0.81 MAPT (0.52) ARMEN1GAAMAPTKMT2A
SCHEMBL3167605 0.81 SIRT5 (0.45) ARSIRT5MEN1GAAMAPT
SCHEMBL4075290 0.81 PGR (0.40) ARMEN1GAAMAPTRECQL
SCHEMBL4075016 0.80 AR (0.43) CYP11B2CYP11B1KDM1AARSIRT5
SCHEMBL4075018 0.79 SMN1; SMN2 (0.51) ARSIRT5MEN1MAPTKMT2A
SCHEMBL4073551 0.78 AR (0.54) ARMEN1GAAMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501031-B Oxazolidone derivatives as PR modulators WYETH (US) 2012-02-01 CN claimed
US-7618990-B2 4-[2-(4,4-Dimethyl-2-thioxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]benzonitrile; progesterone receptor (PR); contraception, treating or preventing fibroids, endometriosis, dysfunctional bleeding, uterine leiomyomata, polycystic ovary syndrome, or hormone-dependent carcinomas, hormone replacement therapy WYETH (US) 2009-11-17 US claimed
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP claimed
US-20080045556-A1 Oxazolidone derivatives as PR modulators WYETH (US) 2008-02-21 US claimed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO claimed
CN-101501031-B Oxazolidone derivatives as PR modulators WYETH (US) 2012-02-01 CN disclosed
US-7652018-B2 Imidazolidin-2-one derivatives useful as PR modulators WYETH LLC (US) 2010-01-26 US disclosed
US-7618989-B2 Tricyclic oxazolidone derivatives useful as PR modulators WYETH (US) 2009-11-17 US disclosed
US-7618990-B2 4-[2-(4,4-Dimethyl-2-thioxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]benzonitrile; progesterone receptor (PR); contraception, treating or preventing fibroids, endometriosis, dysfunctional bleeding, uterine leiomyomata, polycystic ovary syndrome, or hormone-dependent carcinomas, hormone replacement therapy WYETH (US) 2009-11-17 US disclosed
CN-101501031-A Oxazolidone derivatives as pr modulators WYETH CORP (US) 2009-08-05 CN disclosed
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
US-20080045556-A1 Oxazolidone derivatives as PR modulators WYETH (US) 2008-02-21 US disclosed
US-20080045578-A1 Tricyclic oxazolidone derivatives useful as PR modulators WYETH (US) 2008-02-21 US disclosed
US-20080045560-A1 Pyrrolidine and related derivatives useful as PR modulators WYETH (US) 2008-02-21 US disclosed
WO-2008021339-A2 PYRROLIDINE AND RELATED DERIVATIVES USEFUL AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed
WO-2008021338-A2 TRICYCLIC OXAZOLIDONE DERIVATIVES USEFUL AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed
WO-2008021309-A1 IMIDAZOLIDIN-2-ONE DERIVATIVES USEFUL AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed
US-20080045577-A1 4-[2-(3,5,5-Trimethyl-2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]benzonitrile; 1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one; contraception, fibroids, endometriosis, dysfunctional bleeding, uterine leiomyomata, polycystic ovary syndrome, or hormone-dependent carcinomas WYETH (US) 2008-02-21 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 (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-20080045577-A1 4-[2-(3,5,5-Trimethyl-2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]benzonitrile; 1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one; contraception, fibroids, endometriosis, dysfunctional bleeding, uterine leiomyomata, polycystic ovary syndrome, or hormone-dependent carcinomas PKD1, SHBG, NPY4R CYP11B2 2013/4885CYP11B1 1692/4885KDM1A 222/4885
US-20080045560-A1 Pyrrolidine and related derivatives useful as PR modulators PRLHR, GNRHR, NPY1R CYP11B2 866/4885CYP11B1 843/4885KDM1A 369/4885
US-20080045578-A1 Tricyclic oxazolidone derivatives useful as PR modulators MC2R, GNRHR, MC3R CYP11B2 844/4885CYP11B1 1004/4885KDM1A 1314/4885
US-20080045556-A1 Oxazolidone derivatives as PR modulators MC2R, NPY1R, PRLHR CYP11B2 945/4885CYP11B1 1116/4885KDM1A 852/4885

“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.