SCHEMBL21245458

SCHEMBL21245458

CC(C(=O)Nc1ccc(C(F)(F)F)cc1)n1nc(Br)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.49
EPHX2 P34913 1/20 0.43
FPR1 P21462 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NR3C1 P04150 1/20 0.39

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
SCHEMBL21245460 0.87 TP53 (0.48) TP53EPHX2MAPTALDH1A1HIF1A
SCHEMBL20113811 0.86 TP53 (0.64) TP53EPHX2MAPTTRPV1POLB
SCHEMBL20113814 0.83 TP53 (0.73) TP53MAPTMEN1KMT2ATRPV1
SCHEMBL20120050 0.81 TP53 (0.51) TP53EPHX2MAPTHIF1AMEN1
SCHEMBL20114216 0.81 TP53 (0.59) TP53MAPTSMN1; SMN2POLB
SCHEMBL20114220 0.80 TP53 (0.55) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL20120048 0.80 TP53 (0.53) TP53MAPTMEN1KMT2APOLB
SCHEMBL20113815 0.80 TP53 (0.60) TP53MAPTALDH1A1POLB
SCHEMBL20113810 0.80 TP53 (0.54) TP53MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL20120057 0.80 TP53 (0.54) TP53EPHX2MAPTHIF1APOLB

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 1 patent. 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

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 1387/4885EPHX2 1886/4885FPR1 2904/4885

“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.