SCHEMBL3693009

SCHEMBL3693009

O=C(O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCc1c[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TNF P01375 1/20 0.41
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
TACR1 P25103 1/20 0.39
HPGD P15428 2/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL3702676 0.90 DRD3 (0.37) DRD3DRD2DRD4MAPTKDM4E
SCHEMBL3698794 0.89 SMN1; SMN2 (0.42) DRD3DRD2DRD4MAPTKDM4E
SCHEMBL3706882 0.87 HTR2A (0.46) DRD3DRD2MAPTKDM4EALDH1A1
SCHEMBL3775360 0.86 APAF1 (0.40) DRD3DRD2DRD4MAPTKDM4E
SCHEMBL3691829 0.84 HPGD (0.39) DRD3DRD2DRD4MAPTALDH1A1
SCHEMBL3698931 0.83 SNCA (0.42) MAPTALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL3698518 0.83 ADAMTS5 (0.38) ALDH1A1MMP2
SCHEMBL3700736 0.81 BCHE (0.45) MAPTKDM4EALDH1A1RAB9AKMT2A
SCHEMBL3698682 0.81 BCHE (0.46) ALDH1A1RAB9AKMT2AMEN1NPC1
SCHEMBL3701084 0.80 APAF1 (0.44) MAPTKMT2AMEN1

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 3 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
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

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 DRD3 4704/4885DRD2 4693/4885DRD4 4544/4885

“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.