SCHEMBL535361

SCHEMBL535361

CCC(Oc1ccc2ncc(I)cc2c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
PPARA Q07869 9/20 0.45
PPARG P37231 8/20 0.45
ALDH1A1 P00352 3/20 0.42
F2 P00734 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
MET P08581 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARD Q03181 4/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
AKR1C3 P42330 4/20 0.36
AKR1C2 P52895 4/20 0.36
AKR1C1 Q04828 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL3604762 0.88 AR (0.45) SMN1; SMN2PPARAPPARGALDH1A1F2
SCHEMBL3607774 0.85 SMN1; SMN2 (0.51) SMN1; SMN2PPARAPPARGALDH1A1F2
SCHEMBL3798515 0.84 SMN1; SMN2 (0.40) SMN1; SMN2PPARAPPARGALDH1A1MET
SCHEMBL2221539 0.81 SMN1; SMN2 (0.47) SMN1; SMN2PPARAPPARGALDH1A1F2
SCHEMBL535370 0.81 ALDH1A1 (0.43) SMN1; SMN2PPARAPPARGALDH1A1F2
SCHEMBL535594 0.79 ALDH1A1 (0.54) SMN1; SMN2PPARAPPARGALDH1A1MET
SCHEMBL3605518 0.79 MAPT (0.38) SMN1; SMN2ALDH1A1F2GLAHPGD
SCHEMBL534845 0.79 MAPT (0.36) SMN1; SMN2ALDH1A1F2GLAHPGD
SCHEMBL1928588 0.78 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1F2GLAHPGD
SCHEMBL534541 0.78 HSD17B10 (0.36) SMN1; SMN2ALDH1A1F2GLAHPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507509-B2 Saturated and insaturated bi- or tricyclic aryloxyacetamine derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-08-13 US disclosed
EP-2185518-B1 Aryloxyacetamide derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-08 EP disclosed
US-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-25 US disclosed
EP-2185518-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-05-19 EP disclosed
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
EP-2139324-A1 QUINOLINE DERIVATIVES AS FUNGICIDES Syngeta Participations AG (CH) 2010-01-06 EP disclosed
WO-2009030467-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG, (CH) 2009-03-12 WO disclosed
WO-2008110355-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO 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 (2 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-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 SMN1; SMN2 2208/4885PPARA 605/4885PPARG 323/4885
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP4X1, CYP3A7 SMN1; SMN2 3466/4885PPARA 3666/4885PPARG 2119/4885

“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.