SCHEMBL20120161

SCHEMBL20120161

COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3cccnc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
TP53 P04637 3/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK10 P53779 1/20 0.48
ALOX15 P16050 1/20 0.47
LMNA P02545 4/20 0.47
POLB P06746 3/20 0.46
HTT P42858 1/20 0.46
FYN P06241 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL20114212 0.90 MAPT (0.61) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL20113789 0.89 TP53 (0.64) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL20113788 0.86 POLB (0.56) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL20120156 0.85 MAPT (0.49) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL20113782 0.85 TP53 (0.58) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL20113802 0.85 POLB (0.55) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL20113799 0.84 MAPT (0.62) MAPTTP53MEN1KMT2ALMNA
SCHEMBL20113783 0.84 MAPT (0.54) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL20114214 0.83 MAPT (0.54) MAPTTP53MEN1KMT2ATSHR
SCHEMBL20113785 0.83 TP53 (0.56) MAPTTP53MEN1KMT2AALDH1A1

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 1387/4885MEN1 4112/4885

“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.