SCHEMBL3706871

SCHEMBL3706871

O=C(CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.50
GOT1 P17174 1/20 0.49
APAF1 O14727 3/20 0.48
CASP3 P42574 3/20 0.48
CASP9 P55211 3/20 0.48
CYCS P99999 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.47
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B2 P37059 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL3698928 0.93 APAF1 (0.45) HDAC8GOT1APAF1CASP3CASP9
SCHEMBL3700734 0.93 HDAC8 (0.46) HDAC8GOT1APAF1CASP3CASP9
SCHEMBL3698678 0.93 BCHE (0.46) HDAC8GOT1APAF1CASP3CASP9
SCHEMBL3693007 0.90 APAF1 (0.53) HDAC8GOT1APAF1CASP3CASP9
SCHEMBL5955979 0.88 BCHE (0.49) BCHEACHEMEN1KMT2ARAB9A
SCHEMBL3698791 0.85 APAF1 (0.49) HDAC8APAF1CASP3CASP9CYCS
SCHEMBL5956385 0.84 APAF1 (0.52) HDAC8APAF1CASP3CASP9CYCS
SCHEMBL29411284 0.83 ACHE (0.44) BCHEACHEALDH1A1
SCHEMBL5956062 0.83 ACHE (0.44) BCHEACHEALDH1A1
SCHEMBL3775357 0.83 APAF1 (0.72) HDAC8APAF1CASP3CASP9CYCS

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 8 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
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 HDAC8 1813/4885GOT1 206/4885APAF1 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.