SCHEMBL117753

SCHEMBL117753

C=Cc1c(N)nc(-c2ccc(Cl)nc2)nc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
PKM P14618 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
RCE1 Q9Y256 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
F2 P00734 1/20 0.35

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
SCHEMBL721162 0.87 KDM4E (0.51) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1945357 0.84 KDM4E (0.42) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL16047514 0.84 KCNH2 (0.42) CA12CA1CA2CA9CA14
SCHEMBL16035755 0.83 KDM4E (0.40) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL719539 0.83 CA12 (0.47) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL721132 0.83 KDM4E (0.53) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL720191 0.82 KDM4E (0.41) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL16036947 0.81 KDM4E (0.39) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL719484 0.81 RAB9A (0.41) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL718383 0.81 LMNA (0.41) KDM4EPKMSMN1; SMN2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102458118-A Method for controlling weed plants SYNGENTA LTD 2012-05-16 CN 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-20110136666-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-06-09 US disclosed
US-20110136666-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-06-09 US disclosed
US-20110136666-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-06-09 US disclosed
EP-2303015-A2 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2011-04-06 EP 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
WO-2009138712-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-11-19 WO disclosed
WO-2009138712-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-11-19 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-20110136666-A1 CHEMICAL COMPOUNDS DDT, PNPO, CYP2W1 KDM4E 2495/4885PKM 2922/4885SMN1; SMN2 2548/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG KDM4E 2202/4885PKM 2730/4885SMN1; SMN2 4091/4885

“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.