SCHEMBL1344833

SCHEMBL1344833

O=C(NNC(=S)Nc1ccc(OC(F)(F)F)cc1)c1sccc1Br

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
RAB9A P51151 2/20 0.48
EPHX2 P34913 1/20 0.47
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.44
TRPV1 Q8NER1 2/20 0.43
MGAM O43451 1/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4431195 0.90 EPHX2 (0.57) KDM4EALDH1A1RAB9AEPHX2KMT2A
SCHEMBL1348231 0.84 GAA (0.54) MAPTKDM4EL3MBTL1ALDH1A1RAB9A
SCHEMBL4438310 0.81 ALDH1A1 (0.61) MAPTKDM4EALDH1A1LMNARAB9A
SCHEMBL1345296 0.80 RAB9A (0.60) MAPTKDM4EALDH1A1LMNARAB9A
SCHEMBL1344960 0.79 GAA (0.69) MAPTKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL1347532 0.76 ALDH1A1 (0.62) MAPTKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL632354 0.72 EPHX2 (0.55) MAPTKDM4EL3MBTL1RAB9AEPHX2
SCHEMBL2548627 0.71 MEN1 (0.59) MAPTKDM4EALDH1A1LMNARAB9A
SCHEMBL18031171 0.70 MAPT (0.86) MAPTKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL13604070 0.70 MAPT (0.56) MAPTKDM4EL3MBTL1ALDH1A1LMNA

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-8063034-B2 Oxadiazole derivatives and thiadiazole derivatives having neovascularization inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
US-8063034-B2 Oxadiazole derivatives and thiadiazole derivatives having neovascularization inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
US-8063034-B2 Oxadiazole derivatives and thiadiazole derivatives having neovascularization inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
US-20100016354-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016354-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016354-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 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-20100016354-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITORY ACTIVITY FLT4, VEGFA, FLT1 MAPT 4800/4885KDM4E 3062/4885L3MBTL1 3912/4885

“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.