SCHEMBL17482160

SCHEMBL17482160

CCN(C(=O)c1cc[n+]([O-])cc1)c1cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C2CC2)c1F

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.30
TSHR P16473 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
SCHEMBL17482154 0.90 MLYCD (0.37) HDAC8TSHR
SCHEMBL16156488 0.89 DHODH (0.32) HDAC8TSHR
SCHEMBL17482155 0.85 PDE4A (0.33)
SCHEMBL18355934 0.85 HDAC8 (0.30) HDAC8TSHR
SCHEMBL17482111 0.84 TSHR (0.34) HDAC8TSHR
SCHEMBL17482150 0.82 SMN1; SMN2 (0.31)
SCHEMBL18355409 0.81 DHODH (0.32)
SCHEMBL17482148 0.81 MLYCD (0.42) HDAC8TSHR
SCHEMBL17482097 0.81 TSHR (0.32) HDAC8TSHR
SCHEMBL31679336 0.80 TSHR (0.38) HDAC8TSHR

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-9975845-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2018-05-22 US disclosed
US-20170152214-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-06-01 US disclosed
US-9635853-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-05-02 US disclosed
US-20160029624-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 (2 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-20170152214-A1 INSECTICIDAL COMPOUNDS ACHE, HDAC6, TUBA3C HDAC8 804/4885TSHR 3230/4885
US-20160029624-A1 INSECTICIDAL COMPOUNDS ACHE, HDAC6, TUBA3C HDAC8 804/4885TSHR 3230/4885

“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.