SCHEMBL19508784

SCHEMBL19508784

CC(C)OC(=O)NC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAOB P27338 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
GAA P10253 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
SCHEMBL19509268 0.82 L3MBTL1 (0.33) L3MBTL1
SCHEMBL11437545 0.78 TSHR (0.50) HTTTSHRHPGDALOX15NPC1
SCHEMBL4119686 0.77 L3MBTL1 (0.46) TSHRL3MBTL1HPGDALOX15SMN1; SMN2
SCHEMBL24268019 0.72 TSHR (0.43) HTTTSHRHPGDALOX15NPC1
SCHEMBL13063715 0.72 TSHR (0.50) HTTTSHRHPGDALOX15NPC1
SCHEMBL3067341 0.72 TSHR (0.43) HTTTSHRHPGDALOX15NPC1
SCHEMBL19500078 0.71 L3MBTL1 (0.38) L3MBTL1KMT2AMEN1GAA
SCHEMBL13723115 0.70 L3MBTL1 (0.35) TSHRL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL4119682 0.70 L3MBTL1 (0.35) TSHRL3MBTL1
SCHEMBL10360055 0.70 ALDH1A1 (0.41) HTTL3MBTL1ALOX15SMN1; SMN2KMT2A

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-9944654-B2 Nargenicin compounds and uses thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2018-04-17 US disclosed
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 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-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 HTT 3017/4885TSHR 4224/4885L3MBTL1 4584/4885

“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.