SCHEMBL15748945

SCHEMBL15748945

CCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)OCC)nnc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.73
THRB P10828 3/20 0.63
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 3/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
CACNA2D1 P54289 1/20 0.44

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
SCHEMBL15748940 0.92 MAPT (0.78) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL15748802 0.89 MAPT (0.57) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL13977658 0.88 MAPT (0.80) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL15748874 0.85 MAPT (0.81) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL15748950 0.85 MAPT (0.57) MAPTTHRBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL13977289 0.84 MAPT (1.00) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL13977659 0.84 MAPT (0.80) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL15748928 0.84 MAPT (0.68) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL15748870 0.84 MAPT (0.85) MAPTTHRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL15502378 0.84 MAPT (0.78) 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.