SCHEMBL418170

SCHEMBL418170

COc1cc(NC(=O)N2CCCCC2)cc(OC)c1OC

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.69
POLB P06746 2/20 0.69
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
HTT P42858 1/20 0.56
PKM P14618 1/20 0.55
MAPK1 P28482 1/20 0.55
NAMPT P43490 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
HSD11B1 P28845 1/20 0.52

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
SCHEMBL11354403 0.87 POLB (0.61) L3MBTL1POLBSMN1; SMN2NAMPTKDM4E
SCHEMBL11353914 0.85 SMN1; SMN2 (0.73) L3MBTL1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL11355371 0.85 POLB (0.59) L3MBTL1POLBSMN1; SMN2PKMNAMPT
SCHEMBL7435574 0.85 POLB (0.59) L3MBTL1POLBSMN1; SMN2NAMPTMAPT
SCHEMBL11355367 0.85 POLB (0.59) L3MBTL1POLBSMN1; SMN2NAMPTMEN1
SCHEMBL11363142 0.77 L3MBTL1 (0.74) L3MBTL1POLBSMN1; SMN2HTTNAMPT
SCHEMBL7628422 0.77 ALDH1A1 (0.64) L3MBTL1POLBSMN1; SMN2MEN1KMT2A
Trocimine SCHEMBL9534 0.76 POLB (0.72) L3MBTL1POLBSMN1; SMN2HTTPKM
SCHEMBL10115996 0.75 POLB (0.57) L3MBTL1POLBSMN1; SMN2NAMPTKMT2A
SCHEMBL10115650 0.75 POLB (0.57) L3MBTL1POLBSMN1; SMN2NAMPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 US disclosed
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
EP-1753721-A1 AROYL-O-PIPERIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES-RELATED PROBLEMS MERCK PATENT GmbH (DE) 2007-02-21 EP disclosed
WO-2005121091-A1 AROYL-O-PIPERIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES-RELATED PROBLEMS MERCK PATENT GMBH (DE) 2005-12-22 WO 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-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB L3MBTL1 2753/4885POLB 731/4885SMN1; SMN2 3959/4885

“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.