SCHEMBL22279503

SCHEMBL22279503

COC(=O)CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 3/20 0.57
ALDH1A1 P00352 4/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
PKM P14618 1/20 0.51
KDM4E B2RXH2 3/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL22279488 0.93 KMT2A (0.66) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL22279354 0.84 KMT2A (0.62) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL7822120 0.83 MEN1 (0.64) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL7822118 0.83 MEN1 (0.64) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL7827940 0.82 KMT2A (0.72) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL7827937 0.82 KMT2A (0.72) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL14700374 0.81 MAPK1 (0.64) KMT2AALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL7829189 0.80 KMT2A (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL7829186 0.80 KMT2A (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL7828248 0.79 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1GAASMN1; SMN2

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-11166460-B2 α-amino acrylate microbicide, and preparation method therefor and uses thereof NANKAI UNIVERSITY (CN) 2021-11-09 US disclosed
US-20200236935-A1 a-Amino Acrylate microbicide, and preparation method therefor and uses thereof UNIV NANKAI (CN) 2020-07-30 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-20200236935-A1 a-Amino Acrylate microbicide, and preparation method therefor and uses thereof AASDHPPT, ACE, ADA KMT2A 2990/4885MEN1 1923/4885ALDH1A1 322/4885
US-11166460-B2 α-amino acrylate microbicide, and preparation method therefor and uses thereof ACE, AASDHPPT, DDT KMT2A 3353/4885MEN1 1949/4885ALDH1A1 253/4885

“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.