SCHEMBL4075725

SCHEMBL4075725

CC(=O)c1cc(C#N)cn1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
AR P10275 1/20 0.33
PGR P06401 1/20 0.33
TTR P02766 1/20 0.32
ALB P02768 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DUSP3 P51452 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CASP3 P42574 1/20 0.31
LMNA P02545 1/20 0.31
GPR35 Q9HC97 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL20764479 0.85 TDP1 (0.41) ALDH1A1ARTDP1LMNAGPR35
SCHEMBL9153069 0.81 KMT2A (0.46) ALDH1A1MAPTARTTRALB
SCHEMBL20786825 0.80 EGLN2 (0.36) ALDH1A1DUSP3GPR35
SCHEMBL13059384 0.79 ALDH1A1 (0.37) ALDH1A1MAPTPGRTTRALB
SCHEMBL4078706 0.79 GSK3B (0.46) ALDH1A1MAPTARTDP1DUSP3
SCHEMBL27676061 0.79 MAPT (0.34) ALDH1A1MAPTARTDP1KDM4E
SCHEMBL22099948 0.76 NPC1 (0.42) MAPTGAA
SCHEMBL5489913 0.73
SCHEMBL13043834 0.71 KDM4E (0.34) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL10110884 0.69 CCNC (0.36) MAPTARTDP1L3MBTL1

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 4 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
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 (1 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-20080045556-A1 Oxazolidone derivatives as PR modulators MC2R, NPY1R, PRLHR ALDH1A1 3334/4885MAPT 1550/4885AR 47/4885

“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.