SCHEMBL15748874

SCHEMBL15748874

CCOC(=O)c1nnc2c(-c3ccc(O)cc3)c(C)nn2c1C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.81
THRB P10828 1/20 0.63
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ESR1 P03372 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL13977289 0.89 MAPT (1.00) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL13977659 0.89 MAPT (0.80) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL15748940 0.88 MAPT (0.78) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL13977658 0.88 MAPT (0.80) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL15502378 0.88 MAPT (0.78) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL15748945 0.85 MAPT (0.73) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL15748795 0.84 MAPT (0.78) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL15748942 0.84 MAPT (0.71) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL15748850 0.83 MAPT (0.69) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL15748870 0.82 MAPT (0.85) MAPTTHRBALDH1A1MAPK1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676779-B2 Small molecule CFTR correctors DISCOVERYBIOMED, INC. (US) 2017-06-13 US disclosed
US-9676779-B2 Small molecule CFTR correctors DISCOVERYBIOMED, INC. (US) 2017-06-13 US disclosed
US-20150299206-A1 SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2015-10-22 US disclosed
US-20150299206-A1 SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2015-10-22 US disclosed
WO-2014081820-A1 SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2014-05-30 WO 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-20150299206-A1 SMALL MOLECULE CFTR CORRECTORS CFTR, CLCN2, SLC26A4 MAPT 4258/4885THRB 2036/4885ALDH1A1 3475/4885

“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.