SCHEMBL17482111

SCHEMBL17482111

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
HDAC8 Q9BY41 2/20 0.32
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL17482097 0.95 TSHR (0.32) TSHRABL1RIN1HDAC8
SCHEMBL18355981 0.91 TSHR (0.31) TSHRABL1RIN1
SCHEMBL17482103 0.89 ABL1 (0.35) ABL1RIN1ALDH1A1KMT2A
SCHEMBL18356137 0.87 DHODH (0.31)
SCHEMBL16156488 0.86 DHODH (0.32) TSHRHDAC8
SCHEMBL1767050 0.84 ABL1 (0.33) ABL1RIN1HDAC8ALDH1A1KMT2A
SCHEMBL17482109 0.84 ABL1 (0.33) ABL1RIN1ALDH1A1KMT2A
SCHEMBL17482148 0.84 MLYCD (0.42) TSHRABL1HDAC8KMT2A
SCHEMBL17482160 0.84 HDAC8 (0.30) TSHRHDAC8
SCHEMBL17482099 0.84 HTT (0.41) TSHRALDH1A1KMT2A

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 3230/4885ABL1 1530/4885RIN1 760/4885

“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.