SCHEMBL21980940

SCHEMBL21980940

CC(N)C(=O)Nc1ccc(Oc2cccc(C(C)C)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
LTA4H P09960 2/20 0.47
RAB9A P51151 2/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAPT P10636 3/20 0.45
MAPK1 P28482 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
XIAP P98170 1/20 0.45
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43

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
SCHEMBL1980121 1.00 KMT2A (0.48) KMT2AALDH1A1POLBLTA4HRAB9A
SCHEMBL21980932 0.89 LTA4H (0.48) KMT2AALDH1A1POLBLTA4HRAB9A
SCHEMBL13268415 0.89 LTA4H (0.48) KMT2AALDH1A1POLBLTA4HRAB9A
SCHEMBL13721813 0.88 GAA (0.42) KMT2AALDH1A1POLBLTA4HRAB9A
SCHEMBL1981055 0.87 GAA (0.49) KMT2AALDH1A1POLBLTA4HRAB9A
SCHEMBL1982041 0.86 XIAP (0.44) KMT2ALTA4HMEN1XIAPRORC
SCHEMBL13832464 0.85 LTA4H (0.51) KMT2AALDH1A1LTA4HRAB9AGAA
SCHEMBL17350072 0.82 KMT2A (0.45) KMT2AALDH1A1POLBLTA4HRAB9A
SCHEMBL1980122 0.82 SCN9A (0.45) KMT2ALTA4HRAB9AGAAMEN1
SCHEMBL21980923 0.81 GAA (0.45) KMT2AALDH1A1POLBLTA4HRAB9A

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-20200163964-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2020-05-28 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-20200163964-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 KMT2A 530/4885ALDH1A1 848/4885POLB 4014/4885

“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.