SCHEMBL120609

SCHEMBL120609

COC(=O)c1nc(-c2ccc(Cl)cc2)nc(NCc2ccco2)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
NPC1 O15118 3/20 0.54
F2 P00734 1/20 0.54
MAPT P10636 7/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 4/20 0.48
ALOX12 P18054 2/20 0.48
HTT P42858 2/20 0.47
PDE5A O76074 2/20 0.47
REN P00797 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL1609024 0.93 MAPT (0.57) RAB9ANPSR1NPC1F2MAPT
SCHEMBL1609680 0.93 MAPT (0.47) RAB9ANPSR1NPC1F2MAPT
SCHEMBL1610594 0.92 MAPT (0.55) RAB9ANPSR1NPC1F2MAPT
SCHEMBL1610482 0.89 PTGS2 (0.47) RAB9ANPSR1NPC1F2MAPT
SCHEMBL12713301 0.89 APP (0.43) RAB9ANPSR1NPC1F2MAPT
SCHEMBL1610095 0.88 RAB9A (0.47) RAB9ANPSR1NPC1F2MAPT
SCHEMBL1610660 0.88 SOS1 (0.44) RAB9ANPSR1NPC1F2MAPT
SCHEMBL1609282 0.88 SMN1; SMN2 (0.55) RAB9ANPSR1NPC1F2MAPT
SCHEMBL1609483 0.88 KDM4E (0.52) MAPTKMT2AKDM4ELMNAHSD17B10
SCHEMBL1609727 0.88 MAPT (0.47) RAB9ANPSR1NPC1F2MAPT

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 12 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-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
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
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

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 RAB9A 3012/4885NPSR1 2070/4885NPC1 3897/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG RAB9A 2873/4885NPSR1 1800/4885NPC1 3936/4885

“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.