SCHEMBL14435148

SCHEMBL14435148

CC(=O)Oc1nc(N2CCCCS2(=O)=O)c2cccnc2c1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALCA P06881 6/20 0.45
COMT P21964 5/20 0.37
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL967973 0.86 CALCA (0.51) CALCACOMTTDP1ALDH1A1KDM4E
SCHEMBL14435145 0.81 CALCA (0.59) CALCACOMTTDP1ALDH1A1KDM4E
SCHEMBL14435147 0.80 COMT (0.42) COMTTDP1ALDH1A1KDM4EHTT
SCHEMBL6386078 0.79 CALCA (0.68) CALCATDP1L3MBTL1PKM
SCHEMBL967975 0.78 CALCA (0.42) CALCACOMTTDP1ALDH1A1KDM4E
SCHEMBL4066652 0.77 CALCA (0.54) CALCAALDH1A1MAPT
SCHEMBL4070353 0.75 CALCA (0.55) CALCACOMT
SCHEMBL4062076 0.73 CALCA (0.53) CALCACOMTALDH1A1KDM4E
SCHEMBL4067964 0.69 CALCA (0.69) CALCACOMTTDP1KDM4EHTT
SCHEMBL4072599 0.69 CALCA (0.68) CALCACOMTTDP1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds JIN HAOLUN 2007-08-09 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 (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-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds CDKL5, CDKL1, CDKL3 CALCA 4813/4885COMT 2943/4885TDP1 1180/4885

“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.