SCHEMBL1610187

SCHEMBL1610187

COC(=O)c1nc(C2CC2)nc(NCc2ccccc2N2CCOCC2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.44
MAPK1 P28482 4/20 0.44
ALOX15 P16050 3/20 0.44
P2RX7 Q99572 1/20 0.42
BRD4 O60885 2/20 0.42
BRD9 Q9H8M2 2/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
HSD17B10 Q99714 3/20 0.40
FGFR1 P11362 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MAPT P10636 2/20 0.39
KAT2B Q92831 1/20 0.39
PDE10A Q9Y233 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL1608875 0.83 ALDH1A1 (0.51) MAPK1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL1609763 0.82 PDE10A (0.47) ALDH1A1SMN1; SMN2HSD17B10MAPTPDE10A
SCHEMBL1610305 0.81 PDE10A (0.44) ALDH1A1KDM4ESMN1; SMN2NPSR1HSD17B10
SCHEMBL1610277 0.81 PDE10A (0.44) ALDH1A1SMN1; SMN2HSD17B10PDE10A
SCHEMBL1609068 0.81 PDE10A (0.44) ALDH1A1SMN1; SMN2HSD17B10PDE10A
SCHEMBL1610382 0.81 PDE10A (0.44) GAAMAPK1ALOX15ALDH1A1KDM4E
SCHEMBL1609556 0.79 KDM4E (0.43) GAAMAPK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1609781 0.79 ABL1 (0.45) P2RX7ALDH1A1SMN1; SMN2HSD17B10PDE10A
SCHEMBL1609704 0.79 PDE10A (0.62) GAAALDH1A1KDM4ENPSR1PDE10A
SCHEMBL1610228 0.78 CHRM3 (0.43) P2RX7ALDH1A1SMN1; SMN2HSD17B10MAPT

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 3 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
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 GAA 1293/4885MAPK1 1418/4885ALOX15 2606/4885

“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.