SCHEMBL4397286

SCHEMBL4397286

O=C(O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.90

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 6/20 0.90
CASP3 P42574 6/20 0.90
CASP9 P55211 6/20 0.90
CYCS P99999 6/20 0.90
ACHE P22303 1/20 0.44
CCR5 P51681 1/20 0.41
P2RX7 Q99572 8/20 0.38
CCKBR P32239 2/20 0.34

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
SCHEMBL4388693 0.94 APAF1 (1.00) APAF1CASP3CASP9CYCSACHE
SCHEMBL4401180 0.90 APAF1 (0.91) APAF1CASP3CASP9CYCSACHE
SCHEMBL4395653 0.90 APAF1 (0.90) APAF1CASP3CASP9CYCSACHE
SCHEMBL4398368 0.88 APAF1 (0.87) APAF1CASP3CASP9CYCSACHE
SCHEMBL4541497 0.88 APAF1 (0.86) APAF1CASP3CASP9CYCSACHE
SCHEMBL4391634 0.88 APAF1 (0.86) APAF1CASP3CASP9CYCSACHE
SCHEMBL4394060 0.86 APAF1 (0.75) APAF1CASP3CASP9CYCSACHE
SCHEMBL4396565 0.86 APAF1 (0.83) APAF1CASP3CASP9CYCSACHE
SCHEMBL4395693 0.84 APAF1 (0.79) APAF1CASP3CASP9CYCSACHE
SCHEMBL3698065 0.83 APAF1 (0.90) APAF1CASP3CASP9CYCSACHE

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
EP-1963357-B1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS SALVAT LAB SA (ES) 2009-12-09 EP disclosed
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 APAF1 27/4885CASP3 3/4885CASP9 9/4885

“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.