SCHEMBL118131

SCHEMBL118131

COC(=O)c1nc(Cl)nc(NCc2ccco2)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 6/20 0.48
EGFR P00533 1/20 0.47
USP2 O75604 1/20 0.46
APP P05067 1/20 0.45
MAPT P10636 4/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 3/20 0.44
HTT P42858 2/20 0.44
BLM P54132 1/20 0.44
POLB P06746 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
SCHEMBL1653865 0.88 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AEGFRUSP2APP
SCHEMBL1608908 0.85 ALDH1A1 (0.43) SMN1; SMN2KMT2AUSP2APPMAPT
SCHEMBL120609 0.85 RAB9A (0.54) SMN1; SMN2KMT2AMAPTRECQLALDH1A1
SCHEMBL1609680 0.84 MAPT (0.47) SMN1; SMN2KMT2AMAPTTSHRALDH1A1
SCHEMBL1609024 0.84 MAPT (0.57) SMN1; SMN2KMT2AMAPTTSHRALDH1A1
SCHEMBL1610594 0.83 MAPT (0.55) SMN1; SMN2KMT2AEGFRMAPTTSHR
SCHEMBL1609771 0.83 APP (0.44) SMN1; SMN2KMT2AUSP2APPMAPT
SCHEMBL1609529 0.83 ALDH1A1 (0.45) SMN1; SMN2KMT2AUSP2APPMAPT
SCHEMBL1609325 0.82 ALDH1A1 (0.43) SMN1; SMN2KMT2AUSP2APPMAPT
SCHEMBL12713301 0.82 APP (0.43) SMN1; SMN2KMT2AUSP2APPMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
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-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
EP-2424367-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION Syngenta Limited (GB) 2012-03-07 EP 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
WO-2010125332-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA LIMITED (GB) 2010-11-04 WO 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 (3 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 SMN1; SMN2 2654/4885KMT2A 2003/4885EGFR 724/4885
US-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO SMN1; SMN2 3709/4885KMT2A 1798/4885EGFR 1172/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG SMN1; SMN2 4091/4885KMT2A 1950/4885EGFR 1336/4885

“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.