SCHEMBL20161800

SCHEMBL20161800

Cn1c(=O)c2c(ncn2CC(=O)NOc2ccc(C(C)(C)C)cc2)n(C)c1=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.59
KCNJ11 Q14654 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
RXFP1 Q9HBX9 8/20 0.56
CYP1A2 P05177 1/20 0.56
ADORA2B P29275 1/20 0.56
TP53 P04637 3/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 2/20 0.55
TRPA1 O75762 1/20 0.54
ALDH1A1 P00352 1/20 0.54
THRB P10828 1/20 0.53

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
SCHEMBL10114294 0.85 RXFP1 (0.68) ABCC8KCNJ11SMN1; SMN2KMT2AMEN1
SCHEMBL12584442 0.84 TRPA1 (0.75) ABCC8KCNJ11KMT2AMEN1RXFP1
SCHEMBL18166555 0.80 CYP1A2 (0.70) ABCC8KCNJ11SMN1; SMN2KMT2AMEN1
SCHEMBL10114162 0.79 KMT2A (0.70) SMN1; SMN2KMT2AMEN1RXFP1CYP1A2
SCHEMBL1064145 0.78 TRPA1 (0.72) KMT2AMEN1RXFP1CYP1A2TP53
SCHEMBL20079654 0.77 ALOX15 (0.75) KMT2ARXFP1CYP1A2TP53ALOX15
SCHEMBL15375895 0.77 KMT2A (0.74) SMN1; SMN2KMT2AMEN1RXFP1CYP1A2
SCHEMBL15394678 0.77 RXFP1 (0.69) SMN1; SMN2RXFP1CYP1A2TP53ALOX15
SCHEMBL5464245 0.77 KMT2A (0.67) SMN1; SMN2KMT2AMEN1RXFP1CYP1A2
SCHEMBL12584287 0.77 KMT2A (0.67) SMN1; SMN2KMT2AMEN1RXFP1CYP1A2

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 ABCC8 1023/4885KCNJ11 248/4885SMN1; SMN2 129/4885

“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.