SCHEMBL1609830

SCHEMBL1609830

COC(=O)c1nc(C2CC2)nc(NC(C(=O)OC)c2ccccc2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.40
TACR3 P29371 8/20 0.39
EGFR P00533 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PDE10A Q9Y233 3/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 3/20 0.35
MAPK1 P28482 1/20 0.35
TACR2 P21452 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1608935 0.92 SMN1; SMN2 (0.41) ELANEPDE10ATSHRMAPK1KDM4E
SCHEMBL1609362 0.88 PDE10A (0.40) KMT2AMEN1PDE10ALMNATSHR
SCHEMBL1610170 0.87 PDE10A (0.50) EGFRPDE10ATSHRMAPK1KDM4E
SCHEMBL12713170 0.84 PDE10A (0.38) KMT2AMEN1PDE10ALMNATSHR
SCHEMBL1610144 0.84 EGFR (0.39) EGFRPDE10ALMNATSHRMAPK1
SCHEMBL1609921 0.84 PDE10A (0.38) KMT2AMEN1PDE10ALMNATSHR
SCHEMBL1611523 0.84 EGFR (0.39) EGFRPDE10ALMNATSHRMAPK1
SCHEMBL1609871 0.84 EGFR (0.39) EGFRPDE10ALMNATSHRMAPK1
SCHEMBL12713157 0.84 PDE10A (0.38) KMT2AMEN1PDE10ALMNATSHR
SCHEMBL12713129 0.84 PDE10A (0.37) PDE10ALMNATSHRMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ELANE 4446/4885TACR3 673/4885EGFR 724/4885

“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.