SCHEMBL5152296

SCHEMBL5152296

CCc1ccccc1NC(=O)C(C)CC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 3/20 0.57
POLB P06746 2/20 0.57
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
HTT P42858 1/20 0.53
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 3/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL13469120 0.87 L3MBTL1 (0.70) KMT2AL3MBTL1ALDH1A1POLBTAS1R3
SCHEMBL5553160 0.83 POLB (0.55) KMT2AL3MBTL1KDM4EALDH1A1POLB
SCHEMBL14643391 0.83 KDM4E (0.63) KMT2AL3MBTL1KDM4EALDH1A1HTT
SCHEMBL10584522 0.83 L3MBTL1 (0.58) KMT2AL3MBTL1ALDH1A1POLBTAS1R3
SCHEMBL10027975 0.83 KDM4E (0.63) KMT2AL3MBTL1KDM4EALDH1A1HTT
SCHEMBL12125170 0.83 KDM4E (0.63) KMT2AL3MBTL1KDM4EALDH1A1POLB
SCHEMBL13018960 0.81 KDM4E (0.61) KMT2AL3MBTL1KDM4EALDH1A1HTT
SCHEMBL9860802 0.81 TAS1R3 (0.55) KMT2AL3MBTL1ALDH1A1POLBTAS1R3
SCHEMBL13255717 0.81 L3MBTL1 (0.58) KMT2AL3MBTL1ALDH1A1POLBTAS1R3
SCHEMBL13018961 0.81 KCNQ2 (0.66) KMT2AL3MBTL1KDM4EALDH1A1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558617-A4 AMIDINE COMPOUNDS UNIV MONASH (AU) 2007-07-11 EP disclosed
US-20060111381-A1 Amidine compounds MONASH UNIVERSITY (AU) 2006-05-25 US disclosed
EP-1558617-A1 AMIDINE COMPOUNDS Monash University (AU) 2005-08-03 EP disclosed
WO-2004033458-A1 AMIDINE COMPOUNDS MONASH UNIVERSITY (AU) 2004-04-22 WO 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-20060111381-A1 Amidine compounds OPRM1, OPRD1, OPRK1 KMT2A 2882/4885L3MBTL1 2079/4885KDM4E 2690/4885

“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.