SCHEMBL20161686

SCHEMBL20161686

Cc1cc(C)cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.78
RXFP1 Q9HBX9 5/20 0.74
KMT2A Q03164 2/20 0.69
TRPA1 O75762 2/20 0.68
CYP1A2 P05177 1/20 0.67
TP53 P04637 2/20 0.67
POLB P06746 1/20 0.66
GAA P10253 1/20 0.64
MEN1 O00255 1/20 0.64
PORCN Q9H237 1/20 0.62
ADORA2B P29275 1/20 0.62

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
SCHEMBL10114748 0.92 THRB (0.70) THRBRXFP1KMT2ATRPA1CYP1A2
SCHEMBL10114655 0.89 RXFP1 (0.81) THRBRXFP1KMT2ATRPA1CYP1A2
SCHEMBL10114054 0.88 RXFP1 (0.78) THRBRXFP1KMT2ATRPA1CYP1A2
SCHEMBL15394753 0.88 THRB (0.73) THRBRXFP1KMT2ATRPA1CYP1A2
SCHEMBL10114533 0.87 RXFP1 (0.70) THRBRXFP1KMT2ATRPA1CYP1A2
SCHEMBL10114573 0.87 THRB (0.76) THRBRXFP1KMT2ATRPA1CYP1A2
SCHEMBL17628711 0.85 PORCN (0.76) THRBRXFP1KMT2ATRPA1CYP1A2
SCHEMBL10113870 0.85 TRPA1 (0.76) THRBRXFP1KMT2ATRPA1CYP1A2
SCHEMBL4533692 0.85 RXFP1 (0.78) THRBRXFP1TRPA1CYP1A2TP53
SCHEMBL3796579 0.84 THRB (0.72) THRBRXFP1KMT2ATRPA1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 THRB 1630/4885RXFP1 1374/4885KMT2A 4200/4885

“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.