SCHEMBL4282335

SCHEMBL4282335

NC(=O)C1=C(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 17/20 0.64
SLC6A2 P23975 9/20 0.58
PTGS2 P35354 2/20 0.51
PTGS1 P23219 1/20 0.51
IKBKB O14920 1/20 0.41
SLC6A4 P31645 1/20 0.40

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
SCHEMBL4198945 0.96 SLC6A3 (0.64) SLC6A3SLC6A2PTGS2PTGS1IKBKB
SCHEMBL6488802 0.80 SLC6A3 (0.69) SLC6A3SLC6A2PTGS2PTGS1SLC6A4
SCHEMBL1957685 0.80 SLC6A3 (0.69) SLC6A3SLC6A2PTGS2PTGS1SLC6A4
SCHEMBL2483332 0.80 SLC6A3 (0.69) SLC6A3SLC6A2PTGS2PTGS1SLC6A4
SCHEMBL21335107 0.78 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
SCHEMBL6692371 0.78 SLC6A3 (0.57) SLC6A3SLC6A2PTGS2SLC6A4
SCHEMBL1955746 0.74 SLC6A3 (0.71) SLC6A3SLC6A2SLC6A4
SCHEMBL1957762 0.73 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
SCHEMBL1743636 0.71 SLC6A3 (0.71) SLC6A3SLC6A2SLC6A4
SCHEMBL4282338 0.71 PTGS2 (0.55) SLC6A3SLC6A2PTGS2PTGS1

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-8188088-B2 Ethenyl carboxamide derivatives useful as microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2012-05-29 US disclosed
US-20090318495-A1 ETHENYL CARBOXAMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-12-24 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-20090318495-A1 ETHENYL CARBOXAMIDE DERIVATIVES USEFUL AS MICROBIOCIDES CD14, MSR1, ELANE SLC6A3 3347/4885SLC6A2 3482/4885PTGS2 938/4885

“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.