SCHEMBL17482109

SCHEMBL17482109

CN(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 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
KMT2A Q03164 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
DHODH Q02127 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
ABCB1 P08183 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 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
SCHEMBL17482103 0.94 ABL1 (0.35) ABL1RIN1KMT2AALDH1A1CYP1A2
SCHEMBL1767050 0.91 ABL1 (0.33) ABL1RIN1KMT2AALDH1A1CYP1A2
SCHEMBL17482097 0.90 TSHR (0.32) ABL1RIN1DHODH
SCHEMBL17482150 0.85 SMN1; SMN2 (0.31) KMT2AGPBAR1
SCHEMBL17482147 0.85 GPBAR1 (0.40) GPBAR1
SCHEMBL17482098 0.84 GPBAR1 (0.41) KMT2AGPBAR1
SCHEMBL17482111 0.84 TSHR (0.34) ABL1RIN1KMT2AALDH1A1
SCHEMBL15228222 0.83 ALDH1A1 (0.34) ABL1RIN1ALDH1A1CYP1A2CYP3A4
SCHEMBL1766938 0.82 GAA (0.39) KMT2AGPBAR1DHODHALDH1A1TAS1R3
SCHEMBL1766977 0.82 NR1H3 (0.38) KMT2A

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 ABL1 1530/4885RIN1 760/4885KMT2A 2126/4885

“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.