SCHEMBL679341

SCHEMBL679341

CCOC(=O)c1c2c(nn1C)C1CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
TSHR P16473 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
FDFT1 P37268 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
FAAH O00519 1/20 0.34
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
DHODH Q02127 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL680016 0.92 TSHR (0.40) KMT2ATSHRALDH1A1HSD17B10GAA
SCHEMBL679588 0.82 HPGD (0.35) KMT2ATSHRALDH1A1HSD17B10GAA
SCHEMBL2362313 0.79 TSHR (0.40) KMT2ATSHRALDH1A1HSD17B10GAA
SCHEMBL23122279 0.78 TSHR (0.39) KMT2ATSHRALDH1A1HSD17B10GAA
SCHEMBL1431800 0.77 LMNA (0.46) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL23122052 0.77 LMNA (0.44) KMT2ATSHRALDH1A1HSD17B10GAA
SCHEMBL23122259 0.76 KMT2A (0.41) KMT2ATSHRALDH1A1HSD17B10GAA
SCHEMBL2363406 0.76 TSHR (0.39) KMT2ATSHRALDH1A1HSD17B10GAA
SCHEMBL1432075 0.75 TSHR (0.41) KMT2ATSHRALDH1A1HTTL3MBTL1
SCHEMBL9113244 0.75 ALDH1A1 (0.41) KMT2ATSHRALDH1A1HSD17B10GAA

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-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2011-11-24 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-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS B2M, MRPL21, RCE1 KMT2A 1622/4885TSHR 3794/4885ALDH1A1 668/4885

“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.