SCHEMBL534454

SCHEMBL534454

CSC(Oc1ccc2ncccc2c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
PLK1 P53350 1/20 0.49
CYP3A4 P08684 2/20 0.47
MET P08581 3/20 0.46
SRC P12931 2/20 0.46
KDR P35968 2/20 0.46
KIT P10721 1/20 0.46
FGFR2 P21802 1/20 0.46
AXL P30530 1/20 0.46
FLT3 P36888 1/20 0.46
MST1R Q04912 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL1359017 0.86 ALOX5 (0.55) ALDH1A1PPARGPPARAALOX15HTT
SCHEMBL12181867 0.80 ALDH1A1 (0.57) ALDH1A1PPARALMNAAKR1C3AKR1C2
SCHEMBL14769652 0.80 ALDH1A1 (0.44) ALDH1A1PPARGPPARAMETKDR
SCHEMBL535594 0.80 ALDH1A1 (0.54) ALDH1A1PPARGPPARAALOX15HTT
SCHEMBL4951421 0.78 ALDH1A1 (0.53) ALDH1A1PPARGPPARAALOX15HTT
SCHEMBL535370 0.78 ALDH1A1 (0.43) ALDH1A1PPARGPPARAMETKDR
SCHEMBL534741 0.78 ALDH1A1 (0.43) ALDH1A1PPARGPPARAHTTMET
Cadaverine Tartrate SCHEMBL11880513 0.78 CYP3A4 (0.56) ALDH1A1PPARGPPARAALOX15HTT
Cadaverine Tartrate SCHEMBL28918217 0.78 CYP3A4 (0.56) ALDH1A1PPARGPPARAALOX15HTT
SCHEMBL20869403 0.78 ALDH1A1 (0.52) ALDH1A1PPARGPPARAALOX15HTT

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 5 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
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

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-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 ALDH1A1 109/4885PPARG 323/4885PPARA 605/4885

“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.