SCHEMBL3223002

SCHEMBL3223002

COc1ccc2c(c1)C(NC(=S)NCCOC(C)=O)CC2

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.52
NQO2 P16083 15/20 0.52
MTNR1B P49286 15/20 0.52

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
SCHEMBL3752863 0.82 MTNR1A (0.64) MTNR1ANQO2MTNR1B
SCHEMBL3223390 0.80 ALDH1A1 (0.43)
SCHEMBL3210225 0.80 ALDH1A1 (0.43)
SCHEMBL3223009 0.78 MTNR1A (0.47) MTNR1ANQO2MTNR1B
SCHEMBL4427914 0.78 MTNR1A (0.62) MTNR1ANQO2MTNR1B
SCHEMBL8501324 0.78 MTNR1A (0.62) MTNR1ANQO2MTNR1B
SCHEMBL2466357 0.78 MTNR1A (0.62) MTNR1ANQO2MTNR1B
SCHEMBL4017021 0.75 MTNR1A (0.54) MTNR1ANQO2MTNR1B
SCHEMBL5457802 0.75 PDE4A (0.55) MTNR1ANQO2MTNR1B
SCHEMBL3208888 0.74 MEN1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US claimed
US-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US disclosed
EP-2043444-A1 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2009-04-08 EP disclosed
WO-2008009881-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED. (GB) 2008-01-24 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 (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-20100048699-A1 CHEMICAL COMPOUNDS ACHE, TYR, SGMS1 MTNR1A 1437/4885NQO2 1931/4885MTNR1B 1283/4885

“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.