SCHEMBL17482097

SCHEMBL17482097

CCN(C(=O)c1ccc[n+]([O-])c1)c1cccc(C(=O)Nc2c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2Br)c1F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
DHODH Q02127 3/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL17482111 0.95 TSHR (0.34) TSHRABL1RIN1HDAC8
SCHEMBL16156488 0.92 DHODH (0.32) TSHRDHODHHDAC8
SCHEMBL17482109 0.90 ABL1 (0.33) DHODHABL1RIN1
SCHEMBL18355981 0.89 TSHR (0.31) TSHRABL1RIN1
SCHEMBL18356137 0.85 DHODH (0.31) DHODH
SCHEMBL16156489 0.85 MLYCD (0.39) TSHRDHODHHDAC8
SCHEMBL17482096 0.85 HTT (0.38) TSHR
SCHEMBL17482103 0.84 ABL1 (0.35) ABL1RIN1
SCHEMBL1767050 0.81 ABL1 (0.33) ABL1RIN1HDAC8
SCHEMBL18355982 0.81 ABL1 (0.33) ABL1RIN1

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-9402395-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-08-02 US disclosed
US-20160029623-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-02-04 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-20160029623-A1 INSECTICIDAL COMPOUNDS ACHE, HDAC6, TUBA3C TSHR 3230/4885DHODH 2125/4885ABL1 1530/4885

“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.