SCHEMBL119092

SCHEMBL119092

C=Cc1c(N)nc(-c2ccc(Cl)c(N(C)C)c2F)nc1C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MAPT P10636 7/20 0.34
ALDH1A1 P00352 5/20 0.34
TP53 P04637 4/20 0.34
HSD17B10 Q99714 4/20 0.34
NPC1 O15118 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
HTT P42858 2/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
TLR9 Q9NR96 1/20 0.34
KDM4E B2RXH2 3/20 0.33
RAB9A P51151 3/20 0.33
GLP1R P43220 1/20 0.33
TARBP2 Q15633 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
HPGD P15428 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL719703 0.93 ALDH1A1 (0.32) KMT2AMAPTALDH1A1TP53HSD17B10
SCHEMBL10087230 0.93 GAA (0.33) MAPTALDH1A1HSD17B10KDM4EGAA
SCHEMBL719772 0.92 MAPT (0.31) MAPTGAA
SCHEMBL10087235 0.92
SCHEMBL10087234 0.92
SCHEMBL10087231 0.91 LMNA (0.36) MAPTALDH1A1HSD17B10NPC1MAPK1
SCHEMBL719376 0.91 KDM4E (0.34) ALDH1A1HSD17B10KDM4EGAA
SCHEMBL119041 0.90 KDM4E (0.33) KMT2AALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL718324 0.89 MAPT (0.38) KMT2AMAPTALDH1A1HTTMAPK1
SCHEMBL13255883 0.88 MAPT (0.36) MAPTALDH1A1TP53HSD17B10NPC1

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
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
EP-2424367-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION Syngenta Limited (GB) 2012-03-07 EP 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
EP-2396306-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2011-12-21 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-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 KMT2A 2226/4885MAPT 2842/4885ALDH1A1 1043/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG KMT2A 1950/4885MAPT 1617/4885ALDH1A1 3537/4885

“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.