SCHEMBL1609691

SCHEMBL1609691

COC(=O)c1nc(C2CC2)nc(N(C)c2c(Cl)cccc2Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.42
TSHR P16473 2/20 0.35
POLB P06746 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
DRD2 P14416 1/20 0.33
RORC P51449 2/20 0.33
PDE4D Q08499 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33

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
SCHEMBL1610066 0.89 PDE4D (0.38) SLC6A3PDE4DTUBB4ATUBBTUBA3C
SCHEMBL1608874 0.88 SLC6A3 (0.39) SLC6A3TSHRPOLBALDH1A1HSD17B10
SCHEMBL1611390 0.87 NOTUM (0.34) SLC6A3TSHRDRD2RORCPDE4D
SCHEMBL1610512 0.84 SLC6A3 (0.33) SLC6A3ALDH1A1SMN1; SMN2PDE4DTUBB4A
SCHEMBL1610224 0.84 SLC6A3 (0.40) SLC6A3TSHRPOLBALDH1A1HSD17B10
SCHEMBL1609145 0.83 TUBB4A (0.43) SLC6A3POLBALDH1A1HSD17B10SMN1; SMN2
SCHEMBL1609719 0.83 RXRA (0.38) SLC6A3POLBTUBB4ATUBBTUBA3C
SCHEMBL1609761 0.82 RXRA (0.36) SLC6A3TSHRPOLBALDH1A1HSD17B10
SCHEMBL1609643 0.82 RXRA (0.39) SLC6A3TSHRPDE4DMAPK1TUBB4A
SCHEMBL1610229 0.82 SLC6A3 (0.34) SLC6A3TSHRPOLBALDH1A1SMN1; 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 1 patent. 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

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 SLC6A3 2437/4885TSHR 533/4885POLB 915/4885

“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.