SCHEMBL1345296

SCHEMBL1345296

O=C(NNC(=S)Nc1ccccc1)c1sccc1Br

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
NPC1 O15118 6/20 0.60
GAA P10253 11/20 0.57
ALDH1A1 P00352 8/20 0.57
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 3/20 0.54
NOX1 Q9Y5S8 1/20 0.53
CA1 P00915 2/20 0.52
CA9 Q16790 2/20 0.52
CCR6 P51684 1/20 0.52
PKM P14618 1/20 0.51
CYP2C9 P11712 1/20 0.50
HTT P42858 1/20 0.49

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
SCHEMBL1347376 0.87 GAA (0.65) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL4438310 0.86 ALDH1A1 (0.61) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL3640599 0.84 DHODH (0.51) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL1347532 0.82 ALDH1A1 (0.62) RAB9ASMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL1344833 0.80 MAPT (0.53) RAB9ASMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL1346228 0.77 GAA (0.83) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL13547676 0.74 GAA (1.00) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL1346796 0.73 POLB (0.54) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL1864184 0.72 GAA (0.61) RAB9ANPC1GAAALDH1A1KDM4E
SCHEMBL19472826 0.71 RAB9A (0.79) RAB9ASMN1; SMN2NPC1GAAALDH1A1

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 7 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
EP-2128156-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2009-12-02 EP 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 RAB9A 2350/4885SMN1; SMN2 4393/4885NPC1 4450/4885

“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.