SCHEMBL21264097

SCHEMBL21264097

CCN(OC)C(=O)c1cccc(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
GRM5 P41594 1/20 0.40
CYP1A2 P05177 2/20 0.39
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR7 P34969 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 1/20 0.35
CTSA P10619 1/20 0.34
CLK1 P49759 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK10 P53779 1/20 0.32
OXTR P30559 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL10258703 0.81 ALDH1A1 (0.46) ALDH1A1HPGDGRM5CYP1A2MAPT
SCHEMBL4088056 0.80 GRM5 (0.43) ALDH1A1HPGDGRM5CYP1A2HTR7
SCHEMBL2563989 0.80 HPGD (0.44) ALDH1A1HPGDGRM5CYP1A2CHRNB2
SCHEMBL19151565 0.77 CYP1A2 (0.44) ALDH1A1HPGDGRM5CYP1A2CHRNB2
SCHEMBL30911644 0.75 GRM5 (0.47) ALDH1A1HPGDGRM5CYP1A2HTR7
SCHEMBL188335 0.75 GRM5 (0.47) ALDH1A1HPGDGRM5CYP1A2HTR7
SCHEMBL14059371 0.73 ALDH1A1 (0.43) ALDH1A1HPGDGAALMNAKDM4E
SCHEMBL38206 0.72 MAPT (0.59) ALDH1A1HPGDGRM5CYP1A2GAA
SCHEMBL29457944 0.72 MAPT (0.59) ALDH1A1HPGDGRM5CYP1A2GAA
SCHEMBL6564811 0.72 ALDH1A1 (0.49) ALDH1A1HPGDGRM5CYP1A2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577367-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2020-03-03 US disclosed
US-20190248787-A1 IRAK4 INHIBITING AGENTS BIOGEN MA 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 (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-20190248787-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 ALDH1A1 3110/4885HPGD 4619/4885GRM5 2438/4885
US-10577367-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 ALDH1A1 3110/4885HPGD 4619/4885GRM5 2438/4885

“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.