SCHEMBL3525480

SCHEMBL3525480

CC(C)(C=O)Nc1nc(-c2ccc(C#N)cc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
KMT2A Q03164 4/20 0.53
GAA P10253 3/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
VCP P55072 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAOA P21397 11/20 0.50
MAOB P27338 11/20 0.50
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
CFTR P13569 1/20 0.48
ATM Q13315 1/20 0.47

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
SCHEMBL4088247 0.83 KDM4E (0.53) KDM4EKMT2AGAAMEN1MAPT
SCHEMBL4088254 0.83 KDM4E (0.53) KDM4EKMT2AGAAMEN1MAPT
SCHEMBL4087479 0.82 KMT2A (0.47) KDM4EKMT2AGAAMEN1MAPT
SCHEMBL3175801 0.80 VCP (0.58) KDM4EKMT2AGAAMEN1MAPT
SCHEMBL2579091 0.78 GAA (0.64) KDM4EKMT2AGAAMEN1MAPT
Bromide SCHEMBL4509188 0.78 VCP (0.53) KDM4EKMT2AGAAMEN1MAPT
SCHEMBL3166865 0.75 MAOA (0.54) KDM4EKMT2AGAAMEN1MAPT
SCHEMBL4485150 0.75 KIF11 (0.37) KDM4EKMT2AGAAMEN1MAPT
SCHEMBL28911474 0.75 VCP (0.62) KDM4EKMT2AGAAMEN1MAPT
SCHEMBL4078495 0.75 KDM4E (0.51) KDM4EKMT2AGAAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652018-B2 Imidazolidin-2-one derivatives useful as PR modulators WYETH LLC (US) 2010-01-26 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
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-20080045560-A1 Pyrrolidine and related derivatives useful as PR modulators WYETH (US) 2008-02-21 US disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed
WO-2008021339-A2 PYRROLIDINE AND RELATED 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 (3 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 KDM4E 133/4885KMT2A 232/4885GAA 4857/4885
US-20080045560-A1 Pyrrolidine and related derivatives useful as PR modulators PRLHR, GNRHR, NPY1R KDM4E 563/4885KMT2A 492/4885GAA 4819/4885
US-20080045556-A1 Oxazolidone derivatives as PR modulators MC2R, NPY1R, PRLHR KDM4E 480/4885KMT2A 667/4885GAA 4758/4885

“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.