SCHEMBL20120162

SCHEMBL20120162

COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc(C(F)(F)F)cn3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
TP53 P04637 2/20 0.44
LMNA P02545 4/20 0.44
POLB P06746 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DYRK1A Q13627 1/20 0.41
FYN P06241 1/20 0.41
HDAC1 Q13547 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
DGAT2 Q96PD7 1/20 0.40

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
SCHEMBL20120158 0.88 KDR (0.46) MAPTTP53LMNAPOLBMEN1
SCHEMBL20120051 0.88 POLB (0.53) MAPTTP53LMNAPOLBTHRB
SCHEMBL20113831 0.88 TP53 (0.56) MAPTTP53LMNAPOLBMEN1
SCHEMBL20113798 0.86 MAPT (0.52) MAPTTP53LMNAPOLBMEN1
SCHEMBL20114214 0.85 MAPT (0.54) MAPTTP53LMNAPOLBMEN1
SCHEMBL20120156 0.84 MAPT (0.49) MAPTTP53LMNAPOLBMEN1
SCHEMBL20113805 0.84 MAPT (0.47) MAPTTP53LMNAPOLBMEN1
SCHEMBL20120064 0.84 MAPT (0.47) MAPTTP53LMNAPOLBMEN1
SCHEMBL20120164 0.84 TP53 (0.50) MAPTTP53LMNAPOLBMEN1
SCHEMBL20120063 0.83 MAPT (0.51) MAPTTP53LMNAPOLBMEN1

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 MAPT 4790/4885TP53 1387/4885LMNA 1626/4885

“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.