SCHEMBL22279488

SCHEMBL22279488

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

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.66
MEN1 O00255 4/20 0.66
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
PKM P14618 1/20 0.57
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL22279503 0.93 KMT2A (0.57) KMT2AMEN1ALDH1A1CYP3A4CYP2C19
SCHEMBL7827940 0.88 KMT2A (0.72) KMT2AMEN1ALDH1A1CYP3A4CYP2C19
SCHEMBL7827937 0.88 KMT2A (0.72) KMT2AMEN1ALDH1A1CYP3A4CYP2C19
SCHEMBL27543049 0.84 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1CYP3A4CYP2C19
SCHEMBL7829189 0.83 KMT2A (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7829186 0.83 KMT2A (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL22279354 0.82 KMT2A (0.62) KMT2AMEN1ALDH1A1CYP3A4CYP2C19
SCHEMBL7813951 0.80 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1CYP3A4CYP2C19
SCHEMBL7822412 0.80 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1CYP3A4CYP2C19
SCHEMBL7822408 0.80 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1CYP3A4CYP2C19

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.