SCHEMBL15748869

SCHEMBL15748869

COc1ccc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
CRHR1 P34998 1/20 0.46
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 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
SCHEMBL15748853 0.90 MAPT (0.53) MAPTLMNATP53THRB
SCHEMBL15748942 0.88 MAPT (0.71) MAPTLMNATP53THRBCRHR1
SCHEMBL15748867 0.83 MAPT (0.52) MAPTTP53THRBKDM4E
SCHEMBL15748777 0.81 MAPT (0.56) MAPTTHRB
SCHEMBL17192452 0.81 MAPT (0.61) MAPTLMNATP53THRB
SCHEMBL15748793 0.81 MAPT (0.59) MAPTLMNATP53THRB
SCHEMBL17192453 0.80 MAPT (0.55) MAPTLMNATP53THRBKDM4E
SCHEMBL15748794 0.79 MAPT (0.72) MAPTTP53THRBMEN1KMT2A
SCHEMBL15748930 0.79 MAPT (0.54) MAPTLMNATP53THRB
SCHEMBL15748866 0.78 MAPT (0.57) MAPTTP53THRBMEN1KMT2A

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 6 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
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PSYCHOGENICS INC. (US) 2013-05-02 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 (2 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 2432/4885TP53 1552/4885
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT MAPT 234/4885LMNA 1175/4885TP53 3095/4885

“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.