SCHEMBL414683

SCHEMBL414683

CN(C)CC(=O)Nc1nccs1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.58
EPHX2 P34913 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
PKM P14618 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CDK5 Q00535 1/20 0.54
CDK5R1 Q15078 1/20 0.54
PPARG P37231 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 1/20 0.52
FFAR2 O15552 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL175217 0.81 ADORA2A (0.68) ACP1EPHX2HSD17B10RAB9ANPC1
Bromide SCHEMBL27891199 0.79 ADORA2A (0.67) ACP1EPHX2HSD17B10RAB9ANPC1
SCHEMBL10666660 0.79 ACP1 (0.61) ACP1EPHX2HSD17B10RAB9ANPC1
SCHEMBL2837504 0.79 ACP1 (0.65) ACP1EPHX2HSD17B10RAB9ANPC1
SCHEMBL2837501 0.79 ACP1 (0.65) ACP1EPHX2HSD17B10RAB9ANPC1
SCHEMBL4112093 0.78 ADORA2A (0.70) ACP1RAB9ANPC1PKMSMN1; SMN2
SCHEMBL14817493 0.78 ACP1 (0.59) ACP1EPHX2HSD17B10RAB9ANPC1
SCHEMBL11311757 0.78 ACP1 (0.59) ACP1EPHX2HSD17B10RAB9ANPC1
SCHEMBL2605748 0.78 ACP1 (0.55) ACP1EPHX2HSD17B10RAB9ANPC1
SCHEMBL11312790 0.77 ACP1 (0.63) ACP1EPHX2HSD17B10RAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 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 (2 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB ACP1 3789/4885EPHX2 994/4885HSD17B10 1169/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB ACP1 3789/4885EPHX2 994/4885HSD17B10 1169/4885

“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.