SCHEMBL14948935

SCHEMBL14948935

CCc1ccc(C#N)c(OC)c1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.36
ALDH1A1 P00352 2/20 0.35
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
MEP1B Q16820 2/20 0.35
HTR2A P28223 1/20 0.34
AOC3 Q16853 2/20 0.33
SLC22A12 Q96S37 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL2723198 0.84 IMPDH2 (0.37) ARALDH1A1IMPDH2IMPDH1KDM4E
SCHEMBL2725596 0.83 IMPDH2 (0.39) ALDH1A1IMPDH2IMPDH1MEP1BAOC3
SCHEMBL15210186 0.82 HTR2A (0.34) ARALDH1A1IMPDH2IMPDH1KDM4E
SCHEMBL13547954 0.82 KDM4E (0.36) ARALDH1A1IMPDH2IMPDH1KDM4E
SCHEMBL9723151 0.80 AR (0.37) ARKDM4EAOC3SLC22A12CYP11B1
SCHEMBL17604488 0.79 KDM4E (0.42) ARALDH1A1IMPDH2IMPDH1KDM4E
SCHEMBL3839278 0.79 ALDH1A1 (0.37) ARALDH1A1IMPDH2IMPDH1KDM4E
SCHEMBL18854488 0.79 GPR35 (0.37) ARALDH1A1IMPDH2IMPDH1KDM4E
SCHEMBL29472380 0.78 CYP11B1 (0.40) ARALDH1A1IMPDH2IMPDH1KDM4E
SCHEMBL28574963 0.78 AR (0.36) ARALDH1A1KDM4EAOC3CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US disclosed
US-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 US disclosed
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2013-05-16 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 (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-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 AR 2826/4885ALDH1A1 3515/4885IMPDH2 4284/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 AR 2826/4885ALDH1A1 3515/4885IMPDH2 4284/4885

“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.