SCHEMBL6519790

SCHEMBL6519790

O=C(O)NCCNC(=O)c1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.70
RAB9A P51151 4/20 0.70
MEN1 O00255 4/20 0.70
NPC1 O15118 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
THRB P10828 1/20 0.68
EPHX2 P34913 4/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
ALDH1A1 P00352 1/20 0.65
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
MAPT P10636 1/20 0.61
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
USP2 O75604 1/20 0.58
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57

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
SCHEMBL25328235 0.93 THRB (0.77) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL6526112 0.90 RAB9A (0.69) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL6518512 0.90 KMT2A (0.67) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL6525952 0.87 KMT2A (0.59) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL9809561 0.86 RAB9A (0.76) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL17822214 0.86 EPHX2 (0.75) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL29775260 0.85 RAB9A (0.68) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL12966506 0.85 THRB (0.66) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL16731155 0.85 THRB (0.66) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL1520738 0.85 RAB9A (0.68) KMT2ARAB9AMEN1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242558-A1 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF New Frontier Bio, Inc. 2023-08-03 US disclosed
WO-2023147161-A2 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF New Frontier Bio, Inc. (US) 2023-08-03 WO disclosed
US-20180028674-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2018-02-01 US disclosed
US-RE46608-E1 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
US-RE46605-E1 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
EP-3210972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) Catabasis Pharmaceuticals, Inc. (US) 2017-08-30 EP disclosed
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) CATABASIS PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20160346397-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-12-01 US disclosed
US-9486534-B2 Niacin conjugated fatty acid mixtures and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-11-08 US disclosed
US-20160287712-A1 FATTY ACID NIACIN CONJUGATES CATABASIS PHARMACEUTICALS INC (US) 2016-10-06 US disclosed
US-20140113940-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-04-24 US disclosed
WO-2013177536-A2 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) CATABASIS PHARMACEUTICALS, INC. (US) 2013-11-28 WO disclosed
US-8304551-B2 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-8304552-B2 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-20120264791-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-10-18 US disclosed
US-20120252850-A1 NIACIN CONJUGATED FATTY ACID MIXTURES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-20120184585-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-07-19 US disclosed
EP-2473045-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES Catabasis Pharmaceuticals, Inc. (US) 2012-07-11 EP disclosed
WO-2011028689-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-03-10 WO disclosed
US-20110053990-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-03-03 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 (10 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-20110053990-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN KMT2A 2743/4885RAB9A 1912/4885MEN1 1887/4885
US-20160287712-A1 FATTY ACID NIACIN CONJUGATES NAMPT, NAPRT, FASN KMT2A 2755/4885RAB9A 1790/4885MEN1 1651/4885
US-20120184585-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN KMT2A 2743/4885RAB9A 1912/4885MEN1 1887/4885
US-20230242558-A1 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF NAMPT, NNT, NAPRT KMT2A 1449/4885RAB9A 1331/4885MEN1 1273/4885
US-20140113940-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN KMT2A 2743/4885RAB9A 1912/4885MEN1 1887/4885
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 KMT2A 2543/4885RAB9A 1266/4885MEN1 1682/4885
US-20120264791-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN KMT2A 2743/4885RAB9A 1912/4885MEN1 1887/4885
US-20120252850-A1 NIACIN CONJUGATED FATTY ACID MIXTURES AND THEIR USES FABP1, NAMPT, ADH1B KMT2A 3363/4885RAB9A 2278/4885MEN1 2237/4885
US-20180028674-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN KMT2A 2743/4885RAB9A 1912/4885MEN1 1887/4885
US-20160346397-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN KMT2A 2743/4885RAB9A 1912/4885MEN1 1887/4885

“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.