SCHEMBL20120164

SCHEMBL20120164

COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccccn3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.50
MAPT P10636 7/20 0.49
POLB P06746 5/20 0.49
LMNA P02545 4/20 0.48
THRB P10828 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.43
HDAC1 Q13547 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
FYN P06241 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL20113789 0.86 TP53 (0.64) TP53MAPTPOLBLMNATHRB
SCHEMBL20120158 0.86 KDR (0.46) TP53MAPTPOLBLMNATHRB
SCHEMBL20114212 0.85 MAPT (0.61) TP53MAPTPOLBLMNATHRB
SCHEMBL20120066 0.84 MEN1 (0.38) TP53MAPTPOLBLMNATHRB
SCHEMBL20120162 0.84 MAPT (0.45) TP53MAPTPOLBLMNATHRB
SCHEMBL20120064 0.83 MAPT (0.47) TP53MAPTPOLBLMNATHRB
SCHEMBL20113786 0.83 LMNA (0.71) TP53MAPTPOLBLMNATHRB
SCHEMBL21245517 0.83 HDAC1 (0.60) TP53MAPTPOLBLMNATHRB
SCHEMBL20120161 0.82 MAPT (0.53) TP53MAPTPOLBLMNAMEN1
SCHEMBL20113802 0.82 POLB (0.55) TP53MAPTPOLBLMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190248779-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2019-08-15 US disclosed
US-20190248779-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2019-08-15 US disclosed
WO-2018081378-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2018-05-03 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-20190248779-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, SCNN1B, SCNN1G TP53 1387/4885MAPT 4790/4885POLB 417/4885

“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.