SCHEMBL15748823

SCHEMBL15748823

Cc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc(OC(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.48
TP53 P04637 2/20 0.43
MCL1 Q07820 3/20 0.41
BCL2 P10415 2/20 0.41
MDM2 Q00987 2/20 0.41
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLA P06280 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38

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
SCHEMBL17192443 0.89 MAPT (0.49) MAPTLMNAPOLBTHRBTP53
SCHEMBL15748959 0.84 MAPT (0.54) MAPTLMNATHRBTP53NPSR1
SCHEMBL15748801 0.84 MAPT (0.62) MAPTTHRBTP53KMT2ANPSR1
SCHEMBL15748804 0.83 MAPT (0.57) MAPTLMNAPOLBTHRBTP53
SCHEMBL15748802 0.82 MAPT (0.57) MAPTTHRBTP53NPSR1TDP1
SCHEMBL15748950 0.82 MAPT (0.57) MAPTTHRBTP53NPSR1TDP1
SCHEMBL15748794 0.82 MAPT (0.72) MAPTPOLBTHRBTP53KMT2A
SCHEMBL15748822 0.80 MAPT (0.53) MAPTTHRBNPSR1TDP1L3MBTL1
SCHEMBL15748867 0.78 MAPT (0.52) MAPTTHRBTP53MCL1GLA
SCHEMBL23657561 0.78 MAPT (0.57) MAPTTHRBTP53NPSR1TDP1

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 4258/4885LMNA 2432/4885POLB 3978/4885

“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.