SCHEMBL3698005

SCHEMBL3698005

CCOC(=O)CN(CCc1c[nH]c2ccc(O)cc12)C(=O)CC1C(=O)N(CCc2ccc(OC)cc2)CC(=O)N1CCc1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
APAF1 O14727 3/20 0.36
CASP3 P42574 3/20 0.36
CASP9 P55211 3/20 0.36
CYCS P99999 3/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 5/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
HDAC3 O15379 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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 0.96 MAPT (0.38) MEN1KMT2AAPAF1CASP3CASP9
SCHEMBL3701050 0.93 HTR6 (0.40) MEN1KMT2AAPAF1CASP3CASP9
SCHEMBL3700942 0.93 ALDH1A1 (0.39) MEN1KMT2AAPAF1CASP3CASP9
SCHEMBL5956267 0.93 KMT2A (0.39) MEN1KMT2AAPAF1CASP3CASP9
SCHEMBL3704434 0.92 APAF1 (0.41) MEN1KMT2AAPAF1CASP3CASP9
SCHEMBL3697227 0.90 KMT2A (0.38) MEN1KMT2AAPAF1CASP3CASP9
SCHEMBL3704981 0.89 KMT2A (0.40) MEN1KMT2AAPAF1CASP3CASP9
SCHEMBL3710594 0.89 MEN1 (0.42) MEN1KMT2AAPAF1CASP3CASP9
SCHEMBL3707256 0.88 MEN1 (0.44) MEN1KMT2AAPAF1CASP3CASP9
SCHEMBL3709609 0.87 APAF1 (0.41) APAF1CASP3CASP9CYCSALDH1A1

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 MEN1 3731/4885KMT2A 4192/4885APAF1 1/4885

“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.