SCHEMBL4078495

SCHEMBL4078495

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
GAA P10253 3/20 0.48
HTT P42858 2/20 0.48
VCP P55072 1/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MRE11 P49959 1/20 0.43
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
ATM Q13315 1/20 0.43
RAB9A P51151 2/20 0.43
CFTR P13569 1/20 0.42
KCNQ1 P51787 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL4074331 0.89 KDM4E (0.48) KDM4EKMT2AMAPTMEN1GAA
SCHEMBL3175801 0.82 VCP (0.58) KDM4EKMT2AMAPTMEN1GAA
SCHEMBL9250823 0.75 CDC25A (0.52) KDM4EKMT2AMAPTMEN1GAA
SCHEMBL3525480 0.75 KDM4E (0.53) KDM4EKMT2AMAPTMEN1GAA
SCHEMBL4088247 0.74 KDM4E (0.53) KDM4EKMT2AMAPTMEN1GAA
SCHEMBL4088254 0.74 KDM4E (0.53) KDM4EKMT2AMAPTMEN1GAA
SCHEMBL27698166 0.73 VCP (0.49) KDM4EKMT2AMAPTMEN1GAA
SCHEMBL8824039 0.73 ITGB3 (0.58) KDM4EKMT2AMAPTMEN1GAA
SCHEMBL3166865 0.73 MAOA (0.54) KDM4EKMT2AMAPTMEN1GAA
Bromide SCHEMBL4509188 0.73 VCP (0.53) KDM4EKMT2AMAPTMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080045560-A1 Pyrrolidine and related derivatives useful as PR modulators PRLHR, GNRHR, NPY1R KDM4E 563/4885KMT2A 492/4885MAPT 858/4885
US-20080045556-A1 Oxazolidone derivatives as PR modulators MC2R, NPY1R, PRLHR KDM4E 480/4885KMT2A 667/4885MAPT 1550/4885

“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.