SCHEMBL1346985

SCHEMBL1346985

O=C(NNC(=O)c1ccccc1OCc1ccncc1)Nc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.49
TRPV1 Q8NER1 1/20 0.49
SRPK3 Q9UPE1 1/20 0.48
SCD O00767 1/20 0.46
PPIA P62937 2/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1346461 0.84 PPIA (0.62) LRRK2SRPK3PPIA
SCHEMBL1347270 0.77 PPIA (0.58) LRRK2SCDPPIAMAPTGAA
SCHEMBL1346530 0.77 SGMS2 (0.51) SCDPPIAMAPTGAANPC1
SCHEMBL1346671 0.77 SGMS2 (0.66) LRRK2SCDPPIAMAPTGAA
SCHEMBL20357244 0.73 ALDH1A1 (0.51) MAPTTP53GAAJAK2JAK1
SCHEMBL18615516 0.73 ALDH1A1 (0.51) MAPTTP53GAAJAK2JAK1
SCHEMBL1348047 0.72 PPIA (0.64) LRRK2SRPK3PPIA
SCHEMBL18609591 0.72 NAMPT (0.49) PPIAALDH1A1SMN1; SMN2
SCHEMBL17551885 0.71 LRRK2 (0.78) LRRK2SRPK3
SCHEMBL7554091 0.71 GRIK1 (0.67) TRPV1MAPTTP53GAANPC1

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 LRRK2 3361/4885TRPV1 3853/4885SRPK3 999/4885

“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.