SCHEMBL1610751

SCHEMBL1610751

COC(=O)c1nc(C2CC2)nc(N(CC2CC2)c2ccc(Cl)cc2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 17/20 0.42
NR1H4 Q96RI1 1/20 0.39
SLC6A3 Q01959 1/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL1610616 0.85 PDE4B (0.39) LTC4SSLC6A3
SCHEMBL1609145 0.84 TUBB4A (0.43) SLC6A3KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL1610619 0.83 PDE4B (0.37) SLC6A3ALDH1A1
SCHEMBL1608906 0.79 CRHR1 (0.39) SLC6A3KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1609829 0.79 TSHR (0.41) SLC6A3KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1609979 0.79 PDE4B (0.42) SLC6A3KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL12712923 0.77 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL1609450 0.76 TUBB4A (0.42) SLC6A3KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL1609767 0.76 TUBB4A (0.42) SLC6A3KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1609112 0.76 SLC6A3 (0.42) NR1H4SLC6A3KDM4EALDH1A1

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 LTC4S 3826/4885NR1H4 4330/4885SLC6A3 2437/4885

“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.