SCHEMBL1609730

SCHEMBL1609730

C=Cc1c(NCc2ccco2)nc(C2CC2)nc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.41
KDM4E B2RXH2 8/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
HSD17B10 Q99714 5/20 0.41
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
PKM P14618 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
POLB P06746 4/20 0.40
HPGD P15428 2/20 0.40
RECQL P46063 1/20 0.40
REN P00797 3/20 0.40
MAPK1 P28482 5/20 0.39
HSP90AA1 P07900 1/20 0.39
HTT P42858 3/20 0.38
CASP1 P29466 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL1610147 0.85 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1608908 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10087254 0.81 KDM4E (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1611172 0.80 RAB9A (0.51) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1610198 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1612383 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2136872 0.77 APP (0.50) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL1610141 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1610317 0.75 SMN1; SMN2 (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1610521 0.74 AURKA (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
CN-101938905-A Chemical compounds SYNGENTA LTD 2011-01-05 CN disclosed
WO-2010125332-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA LIMITED (GB) 2010-11-04 WO disclosed
EP-2237669-A2 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2010-10-13 EP disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 WO disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 ALDH1A1 1562/4885KDM4E 2613/4885MAPT 2800/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG ALDH1A1 3537/4885KDM4E 2202/4885MAPT 1617/4885

“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.