SCHEMBL19730146

SCHEMBL19730146

Cc1cc2[nH]cnc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
XBP1 P17861 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDPK1 O15530 1/20 0.31
MKNK2 Q9HBH9 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
PNP P00491 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
SCHEMBL19730148 0.87 CACNA1G (0.35) TDP1NPSR1CACNA1GCACNA1BCACNA1C
SCHEMBL19730158 0.87 CACNA1G (0.33) TDP1NPSR1CACNA1GCACNA1BCACNA1C
SCHEMBL19730159 0.86 PNP (0.35) TDP1NPSR1CACNA1GCACNA1BCACNA1C
SCHEMBL13667386 0.79 EGLN1 (0.39) TDP1NPSR1POLBALDH1A1L3MBTL1
SCHEMBL19730138 0.78 TDP1 (0.33) TDP1NPSR1POLBMEN1KMT2A
SCHEMBL19730149 0.75 L3MBTL1 (0.36) TDP1NPSR1POLBMEN1KMT2A
SCHEMBL26068373 0.75 MEN1 (0.34) TDP1NPSR1POLBMEN1KMT2A
SCHEMBL19730137 0.74 L3MBTL1 (0.33) TDP1NPSR1POLBMEN1KMT2A
SCHEMBL29593049 0.74 L3MBTL1 (0.33) TDP1NPSR1CACNA1GCACNA1BCACNA1C
SCHEMBL19730139 0.74 L3MBTL1 (0.33) TDP1NPSR1CACNA1GCACNA1BCACNA1C

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-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, INC. 2017-12-21 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-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF ADCY1, ADCY2, ADCY5 TDP1 1462/4885NPSR1 944/4885CACNA1G 1684/4885

“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.