SCHEMBL3697227

SCHEMBL3697227

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SLC6A4 P31645 1/20 0.37
MEN1 O00255 4/20 0.37
RECQL P46063 1/20 0.37
APAF1 O14727 3/20 0.37
CASP3 P42574 3/20 0.37
CASP9 P55211 3/20 0.37
CYCS P99999 3/20 0.37
HTR1A P08908 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTR6 P50406 2/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
HTR3E A5X5Y0 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
SCHEMBL5956267 0.97 KMT2A (0.39) KMT2AALDH1A1MAPTL3MBTL1SLC6A4
SCHEMBL5955662 0.94 MAPT (0.38) KMT2AALDH1A1MAPTL3MBTL1MEN1
SCHEMBL3701050 0.93 HTR6 (0.40) KMT2AALDH1A1MAPTL3MBTL1SLC6A4
SCHEMBL3702324 0.92 SMN1; SMN2 (0.41) KMT2AALDH1A1MAPTMEN1APAF1
SCHEMBL3704434 0.92 APAF1 (0.41) KMT2AALDH1A1MAPTL3MBTL1MEN1
SCHEMBL3693127 0.91 APAF1 (0.50) KMT2AALDH1A1MAPTL3MBTL1MEN1
SCHEMBL3805368 0.91 APAF1 (0.37) KMT2AALDH1A1MAPTL3MBTL1SLC6A4
SCHEMBL3698005 0.90 MEN1 (0.36) KMT2AALDH1A1MAPTL3MBTL1MEN1
SCHEMBL3703236 0.90 KMT2A (0.42) KMT2AALDH1A1MAPTL3MBTL1SLC6A4
SCHEMBL3700942 0.88 ALDH1A1 (0.39) KMT2AALDH1A1MAPTMEN1RECQL

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 7 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
EP-2460798-A2 APAF-1 INHIBITOR COMPOUNDS Laboratorios SALVAT, S.A. (ES) 2012-06-06 EP 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 KMT2A 4192/4885ALDH1A1 701/4885MAPT 4448/4885

“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.