SCHEMBL21264038

SCHEMBL21264038

C=C/C=C(/CN(Cc1ccc(OC)cc1OC)C(=O)OC(C)(C)C)NC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
APLNR P35414 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL31564004 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL192119 0.78 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL14680120 0.76 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL4918543 0.74 NPSR1 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL15624358 0.74 KMT2A (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL12282468 0.73 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL12282460 0.73 MEN1 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL12281391 0.73 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL30479647 0.72 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL12282151 0.72 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2HTT

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 3110/4885KMT2A 769/4885MEN1 3492/4885
US-10577367-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 ALDH1A1 3110/4885KMT2A 769/4885MEN1 3492/4885

“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.