SCHEMBL1346534

SCHEMBL1346534

NNC(=O)c1ncccc1OCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HDAC6 Q9UBN7 2/20 0.47
SCD O00767 1/20 0.46
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
SGMS2 Q8NHU3 2/20 0.44
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
PPIA P62937 1/20 0.44
MPO P05164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C19 P33261 1/20 0.44
ABCB1 P08183 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
SCHEMBL13604146 0.84 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHDAC6SCD
SCHEMBL8883647 0.84 ABCB1 (0.50) ALDH1A1MAPTKDM4ESCDSGMS2
SCHEMBL1344785 0.83 KMT2A (0.55) ALDH1A1MAPTHDAC6SCDMAPK1
SCHEMBL1346595 0.81 SGMS2 (0.58) ALDH1A1MAPTKDM4EHDAC6GAA
SCHEMBL1344868 0.81 SGMS2 (0.42) ALDH1A1MAPTKDM4ESCDMAPK1
SCHEMBL1344870 0.80 PPIA (0.60) SCDSGMS2PPIAMEN1KMT2A
SCHEMBL18245565 0.77 CTSD (0.56) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL9353613 0.75 PPIA (0.51) ALDH1A1KDM4ESGMS2LTA4HMAPK14
SCHEMBL8809859 0.75 EGLN2 (0.59) MAPTSGMS2LTA4HMAPK14PPIA
Hydrochloric Acid SCHEMBL10708867 0.75 SPHK2 (0.52) SGMS2LTA4HMAPK14PPIA

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 ALDH1A1 232/4885MAPT 4800/4885KDM4E 3062/4885

“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.