SCHEMBL1348231

SCHEMBL1348231

O=C(NNc1ccc(OC(F)(F)F)cc1)c1sccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 2/20 0.46
AGTR1 P30556 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
EPHX2 P34913 1/20 0.46
ATM Q13315 3/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 4/20 0.42
TRPV1 Q8NER1 3/20 0.42
RAF1 P04049 1/20 0.40
LCK P06239 1/20 0.40
RET P07949 1/20 0.40
CYP3A4 P08684 1/20 0.40
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
MAP3K20 Q9NYL2 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
MEN1 O00255 3/20 0.40

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 0.88 EPHX2 (0.57) GAAALDH1A1KDM4ETDP1EPHX2
SCHEMBL1344833 0.84 MAPT (0.53) GAAALDH1A1KDM4EMAPTEPHX2
SCHEMBL20583818 0.73 EPHX2 (0.61) GAAKDM4EMAPTEPHX2KMT2A
SCHEMBL27914687 0.72 PTGS2 (0.66) GAAALDH1A1KDM4EEPHX2TRPV1
Hydrochloric Acid SCHEMBL5797919 0.72 PTGS2 (0.66) GAAALDH1A1KDM4EMAPTEPHX2
SCHEMBL28980340 0.71 EPHX2 (0.59) GAAMAPTEPHX2KMT2ATRPV1
SCHEMBL8665919 0.71 EPHX2 (0.59) GAAKDM4EMAPTEPHX2KMT2A
SCHEMBL632354 0.71 EPHX2 (0.55) KDM4EMAPTEPHX2ATMKMT2A
SCHEMBL22323507 0.70 TRPV1 (0.56) GAAALDH1A1KDM4EMAPTTDP1
Hydrochloric Acid SCHEMBL28849637 0.70 EPHX2 (0.57) GAAKDM4EMAPTTDP1EPHX2

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 2 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-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 GAA 3849/4885ALDH1A1 232/4885KDM4E 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.