SCHEMBL4452221

SCHEMBL4452221

NC(=O)CC(C(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.49
KMT2A Q03164 3/20 0.49
CYP2C19 P33261 3/20 0.49
MEN1 O00255 2/20 0.49
CYP2D6 P10635 2/20 0.49
GABBR2 O75899 3/20 0.47
GABBR1 Q9UBS5 3/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
NFKB1 P19838 1/20 0.47
DRD3 P35462 1/20 0.47
BLM P54132 1/20 0.47
CYP1A2 P05177 1/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
EPHX1 P07099 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL350338 0.87 CYP2C9 (0.60) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL12167909 0.85 CYP2C9 (0.46) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL10255978 0.82 GABBR2 (0.53) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL11082974 0.81 CYP2C9 (0.42) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL30699923 0.81 CYP2C19 (0.51) CYP2C19LMNAPOLBL3MBTL1EPHX1
SCHEMBL4462528 0.81 EPHX1 (0.42) GABBR2GABBR1LMNAEPHX1GAA
SCHEMBL23564521 0.81 FFAR2 (0.48) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL27515059 0.81 FFAR2 (0.48) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL523877 0.80 GABBR2 (0.59) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL3353282 0.80 EPHX1 (0.63) CYP2C19CYP2D6GABBR2GABBR1LMNA

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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS CONSEJO SUPERIOR DE (ES) 2009-12-03 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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS BAX, BCL2, CASP3 CYP2C9 3604/4885KMT2A 4770/4885CYP2C19 2889/4885

“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.