SCHEMBL721132

SCHEMBL721132

C=Cc1c(N)nc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
PKM P14618 2/20 0.53
RCE1 Q9Y256 1/20 0.53
NOTUM Q6P988 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A3 Q01959 7/20 0.40
SLC6A2 P23975 3/20 0.40
RHEB Q15382 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SCN9A Q15858 1/20 0.36
SLC6A4 P31645 2/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL716661 0.91 KDM4E (0.43) KDM4EPKMRCE1NOTUMNPC1
SCHEMBL721639 0.90 KDM4E (0.42) KDM4EPKMRCE1NOTUMNPC1
SCHEMBL719097 0.90 KDM4E (0.42) KDM4EPKMRCE1NOTUMNPC1
SCHEMBL721162 0.88 KDM4E (0.51) KDM4EPKMRCE1NPC1RAB9A
SCHEMBL719560 0.87 NOTUM (0.51) KDM4EPKMRCE1NOTUMSMN1; SMN2
SCHEMBL1918257 0.86 KDM4E (0.40) KDM4EPKMRCE1NOTUMNPC1
SCHEMBL3784949 0.85 KDM4E (0.39) KDM4EPKMRCE1NOTUMNPC1
SCHEMBL719542 0.85 ERN1 (0.39) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL16035755 0.84 KDM4E (0.40) KDM4EPKMRCE1NPC1RAB9A
SCHEMBL719539 0.84 CA12 (0.47) KDM4EPKMNPC1RAB9ASMN1; SMN2

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 8 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
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
WO-2010125332-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA LIMITED (GB) 2010-11-04 WO disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP KDM4E 2202/4885PKM 1703/4885RCE1 2375/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG KDM4E 2202/4885PKM 2730/4885RCE1 630/4885

“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.