SCHEMBL3796579

SCHEMBL3796579

Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(F)c(Br)c(F)c2)n(C)c1=O

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.72
RXFP1 Q9HBX9 5/20 0.66
TRPA1 O75762 2/20 0.63
TP53 P04637 1/20 0.62
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.58
PORCN Q9H237 1/20 0.58
GAA P10253 1/20 0.58

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
SCHEMBL15394753 0.90 THRB (0.73) THRBRXFP1TRPA1TP53KMT2A
SCHEMBL10114573 0.88 THRB (0.76) THRBRXFP1TRPA1TP53KMT2A
SCHEMBL17527090 0.88 RXFP1 (0.69) THRBRXFP1TRPA1TP53KMT2A
SCHEMBL10114003 0.87 RXFP1 (0.76) THRBRXFP1TRPA1TP53KMT2A
SCHEMBL15394677 0.87 THRB (0.68) THRBRXFP1TRPA1TP53KMT2A
SCHEMBL10114263 0.85 RXFP1 (0.83) THRBRXFP1TRPA1TP53KMT2A
SCHEMBL20161686 0.84 THRB (0.78) THRBRXFP1TRPA1TP53KMT2A
SCHEMBL10114748 0.84 THRB (0.70) THRBRXFP1TRPA1TP53KMT2A
SCHEMBL10113830 0.84 TRPA1 (0.77) THRBRXFP1TRPA1TP53KMT2A
SCHEMBL3826453 0.84 TRPA1 (0.77) THRBRXFP1TRPA1TP53KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170151248-A1 USE OF TRPA1 ANTAGONISTS TO PREVENT OR TREAT INFECTIONS CAUSED BY BIOLOGICAL-WARFARE AGENTS ELI LILLY AND COMPANY 2017-06-01 US disclosed
US-9260430-B2 Use of TRPA1 antagonists to prevent or treat infections caused by biological-warfare agents HYDRA BIOSCIENCES, INC. (US) 2016-02-16 US disclosed
WO-2010138879-A1 COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO TRPA1 HYDRA BIOSCIENCES, INC. (US) 2010-12-02 WO 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-20170151248-A1 USE OF TRPA1 ANTAGONISTS TO PREVENT OR TREAT INFECTIONS CAUSED BY BIOLOGICAL-WARFARE AGENTS TRPA1, TRPV1, TRPV2 THRB 1103/4885RXFP1 396/4885TRPA1 1/4885

“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.