SCHEMBL257596

SCHEMBL257596

CC(C)(C)OC(=O)Nc1ccc2ncccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.65
POLB P06746 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
MAPT P10636 1/20 0.65
PABPC1 P11940 1/20 0.58
RAB9A P51151 7/20 0.57
NOTUM Q6P988 1/20 0.55
ALDH1A1 P00352 3/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTT P42858 2/20 0.51
ALOX15 P16050 1/20 0.51
NAMPT P43490 2/20 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
SCHEMBL6817067 0.88 NAMPT (0.61) NPC1POLBMEN1KMT2AMAPT
SCHEMBL28262243 0.83 ANO1 (0.52) NPC1POLBMEN1KMT2AMAPT
SCHEMBL19512747 0.82 MAP4K4 (0.46) NPC1POLBMEN1KMT2AMAPT
SCHEMBL8336826 0.82 PABPC1 (0.51) NPC1POLBMEN1KMT2AMAPT
SCHEMBL240482 0.82 TRPV1 (0.61) NPC1POLBMAPTRAB9ANOTUM
SCHEMBL8115168 0.82 NPC1 (0.70) NPC1POLBMEN1KMT2AMAPT
SCHEMBL3403454 0.80 KAT6A (0.60) NPC1POLBMEN1KMT2AMAPT
SCHEMBL30216106 0.80 KAT6A (0.60) NPC1POLBMEN1KMT2AMAPT
SCHEMBL1538297 0.80 NPC1 (0.77) NPC1POLBMEN1KMT2AMAPT
SCHEMBL29728201 0.80 NPC1 (0.77) NPC1POLBMEN1KMT2AMAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661431-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2018-07-11 EP disclosed
EP-2661431-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2018-07-11 EP disclosed
US-9701637-B2 Tau imaging probe GE HEALTHCARE LIMITED (GB) 2017-07-11 US disclosed
US-9452985-B2 Tau imaging probe GE HEALTHCARE LIMITED (GB) 2016-09-27 US disclosed
US-20160271278-A1 TAU IMAGING PROBE GE HEALTHCARE LTD (GB) 2016-09-22 US disclosed
US-9249101-B2 Tau imaging probe CLINO LTD. (JP) 2016-02-02 US disclosed
US-20160008494-A1 TAU IMAGING PROBE GE HEALTHCARE LIMITED (GB) 2016-01-14 US disclosed
US-9073902-B2 Substituted quinoxaline carboxylic acid compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2015-07-07 US disclosed
US-9073902-B2 Substituted quinoxaline carboxylic acid compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2015-07-07 US disclosed
US-9073902-B2 Substituted quinoxaline carboxylic acid compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2015-07-07 US disclosed
US-20120220589-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-08-30 US disclosed
US-20120220589-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-08-30 US disclosed
US-20120220589-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-08-30 US disclosed
WO-2012094462-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-07-12 WO disclosed
WO-2012057312-A1 TAU IMAGING PROBE クリノ株式会社 (JP) 2012-05-03 WO disclosed
WO-2012029763-A1 DIAMINE, POLYIMIDE PRECURSOR, POLYIMIDE, LIQUID-CRYSTAL ALIGNMENT MATERIAL, LIQUID-CRYSTAL ALIGNMENT FILM, AND LIQUID-CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-03-08 WO disclosed
US-6949543-B2 Amide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-27 US disclosed
EP-1340750-B1 AMIDE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 EP disclosed
US-20040034232-A1 Amide derivative ASTELLAS PHARMA INC. (JP) 2004-02-19 US disclosed
EP-1340750-A1 AMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-03 EP 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 (4 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-20120220589-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 NPC1 3570/4885POLB 1468/4885MEN1 3040/4885
US-20160008494-A1 TAU IMAGING PROBE MAPT, APP, APBA1 NPC1 394/4885POLB 4142/4885MEN1 442/4885
US-20160271278-A1 TAU IMAGING PROBE MAPT, APP, APBA1 NPC1 394/4885POLB 4142/4885MEN1 442/4885
US-20040034232-A1 Amide derivative HDAC2, ZC3HAV1, HDAC4 NPC1 3690/4885POLB 3218/4885MEN1 4073/4885

“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.