SCHEMBL3703236

SCHEMBL3703236

COc1ccc2[nH]cc(CCN(CC(=O)O)C(=O)CC3C(=O)N(CCc4cccs4)CC(=O)N3CCc3cccs3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
APAF1 O14727 3/20 0.42
CASP3 P42574 3/20 0.42
CASP9 P55211 3/20 0.42
CYCS P99999 3/20 0.42
MAPT P10636 3/20 0.40
HTR6 P50406 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
HTR1A P08908 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL3704981 0.97 KMT2A (0.40) KMT2AAPAF1CASP3CASP9CYCS
SCHEMBL5956267 0.93 KMT2A (0.39) KMT2AAPAF1CASP3CASP9CYCS
SCHEMBL3701050 0.91 HTR6 (0.40) KMT2AAPAF1CASP3CASP9CYCS
SCHEMBL5955662 0.90 MAPT (0.38) KMT2AAPAF1CASP3CASP9CYCS
SCHEMBL3697227 0.90 KMT2A (0.38) KMT2AAPAF1CASP3CASP9CYCS
SCHEMBL3704434 0.88 APAF1 (0.41) KMT2AAPAF1CASP3CASP9CYCS
SCHEMBL3693127 0.87 APAF1 (0.50) KMT2AAPAF1CASP3CASP9CYCS
SCHEMBL3805368 0.87 APAF1 (0.37) KMT2AAPAF1CASP3CASP9CYCS
SCHEMBL3699378 0.86 APAF1 (0.57) KMT2AAPAF1CASP3CASP9CYCS
SCHEMBL3698005 0.86 MEN1 (0.36) KMT2AAPAF1CASP3CASP9CYCS

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-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 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-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS APAF1, API5, AIFM1 KMT2A 4192/4885APAF1 1/4885CASP3 13/4885

“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.