SCHEMBL3701050

SCHEMBL3701050

CCOC(=O)CN(CCc1c[nH]c2ccc(OC)cc12)C(=O)CC1C(=O)N(CCc2ccccc2)CC(=O)N1CCc1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
APAF1 O14727 3/20 0.40
CASP3 P42574 3/20 0.40
CASP9 P55211 3/20 0.40
CYCS P99999 3/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HTR2A P28223 3/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 4/20 0.37
BCHE P06276 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL5955662 0.97 MAPT (0.38) HTR6APAF1CASP3CASP9CYCS
SCHEMBL5956267 0.96 KMT2A (0.39) HTR6APAF1CASP3CASP9CYCS
SCHEMBL3704434 0.95 APAF1 (0.41) HTR6APAF1CASP3CASP9CYCS
SCHEMBL3697227 0.93 KMT2A (0.38) HTR6APAF1CASP3CASP9CYCS
SCHEMBL3698005 0.93 MEN1 (0.36) HTR6APAF1CASP3CASP9CYCS
SCHEMBL3700942 0.93 ALDH1A1 (0.39) APAF1CASP3CASP9CYCSKMT2A
SCHEMBL3709609 0.92 APAF1 (0.41) APAF1CASP3CASP9CYCSALDH1A1
SCHEMBL3704981 0.91 KMT2A (0.40) HTR6APAF1CASP3CASP9CYCS
SCHEMBL3805368 0.91 APAF1 (0.37) HTR6APAF1CASP3CASP9CYCS
SCHEMBL3703236 0.91 KMT2A (0.42) HTR6APAF1CASP3CASP9CYCS

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 6 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-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
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
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 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 HTR6 3130/4885APAF1 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.