SCHEMBL14945872

SCHEMBL14945872

O=c1c(CO)nn(-c2ccccc2O)c(=O)n1Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SLC5A2 P31639 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
SCN9A Q15858 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3575638 0.85 VEGFA (0.43) VEGFAEGLN1TP53THRBKMT2A
SCHEMBL3590305 0.85 SCN9A (0.41) VEGFAEGLN1TP53THRBKMT2A
SCHEMBL16302912 0.82 THRB (0.40) TP53THRBALDH1A1KDM4E
SCHEMBL3584270 0.77 THRB (0.46) TP53THRBKMT2AMAPK1LMNA
SCHEMBL3577374 0.77 THRB (0.46) TP53THRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL3581326 0.71 ALDH1A1 (0.47) TP53THRBMAPK1LMNAHTT
SCHEMBL14945876 0.71 GPBAR1 (0.39) KDM4ETSHR
SCHEMBL3584604 0.71 NPC1 (0.48) TP53KMT2AMAPK1LMNAALDH1A1
SCHEMBL3583764 0.71 ALDH1A1 (0.47) TP53THRBLMNAHTTALDH1A1
SCHEMBL14945877 0.70 NPC1 (0.48) KMT2ALMNAHTTALDH1A1MAPT

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 VEGFA 4860/4885EGLN1 4250/4885TP53 4865/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 VEGFA 4860/4885EGLN1 4250/4885TP53 4865/4885

“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.