SCHEMBL20161818

SCHEMBL20161818

CCn1c(SCC=O)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.79
RXFP1 Q9HBX9 8/20 0.59
MAPK1 P28482 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
POLB P06746 1/20 0.58
TSHR P16473 4/20 0.56
PKM P14618 1/20 0.55
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL20488962 0.86 RXFP1 (0.78) HTTRXFP1MAPK1MEN1KMT2A
SCHEMBL18441011 0.86 HTT (0.73) HTTRXFP1MAPK1MEN1KMT2A
SCHEMBL20488647 0.86 HTT (0.73) HTTRXFP1MAPK1MEN1KMT2A
SCHEMBL20488497 0.81 HTT (0.67) HTTRXFP1MAPK1MEN1KMT2A
SCHEMBL21602575 0.79 HTT (0.64) HTTRXFP1MAPK1MEN1KMT2A
SCHEMBL14754328 0.79 HTT (1.00) HTTRXFP1MAPK1MEN1KMT2A
SCHEMBL25239535 0.75 TSHR (0.67) HTTRXFP1MAPK1TSHRL3MBTL1
SCHEMBL21602513 0.74 RXFP1 (1.00) RXFP1MAPK1MEN1KMT2ATSHR
SCHEMBL460340 0.72 CYP1A2 (0.75) HTTMAPK1TSHRRAB9AL3MBTL1
SCHEMBL21602500 0.72 RXFP1 (0.79) RXFP1MAPK1MEN1KMT2APOLB

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 HTT 160/4885RXFP1 1374/4885MAPK1 3852/4885

“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.