SCHEMBL3402444

SCHEMBL3402444

CC(C)(C)OC(=O)NCCNC(=O)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.61
KMT2A Q03164 7/20 0.60
MEN1 O00255 5/20 0.60
CYP3A4 P08684 2/20 0.60
CYP1A2 P05177 1/20 0.60
THRB P10828 1/20 0.56
NAMPT P43490 1/20 0.56
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
USP2 O75604 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
EPHX2 P34913 2/20 0.53
MAPT P10636 1/20 0.52
ALDH1A1 P00352 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
Acetic Acid SCHEMBL28083299 0.96 KMT2A (0.60) RAB9AKMT2AMEN1CYP3A4CYP1A2
SCHEMBL6523383 0.92 KMT2A (0.62) RAB9AKMT2AMEN1CYP3A4CYP1A2
SCHEMBL10331452 0.91 RAB9A (0.56) RAB9AKMT2AMEN1CYP3A4CYP1A2
SCHEMBL6524147 0.91 RAB9A (0.56) RAB9AKMT2AMEN1CYP3A4CYP1A2
SCHEMBL25028453 0.91 KMT2A (0.60) RAB9AKMT2AMEN1CYP3A4CYP1A2
SCHEMBL10331456 0.90 EPHX2 (0.56) RAB9AKMT2AMEN1CYP3A4CYP1A2
SCHEMBL6523393 0.90 RAB9A (0.54) RAB9AKMT2AMEN1CYP3A4CYP1A2
SCHEMBL12696170 0.86 RAB9A (0.55) RAB9AKMT2AMEN1CYP3A4CYP1A2
SCHEMBL28099067 0.85 CYP3A4 (0.51) RAB9AKMT2AMEN1CYP3A4CYP1A2
SCHEMBL479747 0.84 NAMPT (0.58) RAB9AKMT2AMEN1THRBNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472948-A2 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF New Frontier Bio, Inc. (US) 2024-12-11 EP disclosed
US-20230242558-A1 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF New Frontier Bio, Inc. 2023-08-03 US disclosed
CN-108998438-A A kind of novel 7-ACA immobilised enzymes and preparation method thereof 宁波天鲲生物科技有限公司 2018-12-14 CN 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-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
US-20100311694-A1 Set of Geldanamycin Derivatives and Their Preparation Methods INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-09 US disclosed
US-20100311694-A1 Set of Geldanamycin Derivatives and Their Preparation Methods INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-09 US disclosed
US-20100311694-A1 Set of Geldanamycin Derivatives and Their Preparation Methods INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-09 US disclosed
EP-2253621-A1 A SET OF GELDANAMYCIN DERIVATIVES AND THEIR PREPARATION METHODS Institute Of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2010-11-24 EP disclosed
EP-2253621-A1 A SET OF GELDANAMYCIN DERIVATIVES AND THEIR PREPARATION METHODS Institute Of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2010-11-24 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 (8 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 RAB9A 1912/4885KMT2A 2743/4885MEN1 1887/4885
US-20120184585-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN RAB9A 1912/4885KMT2A 2743/4885MEN1 1887/4885
US-20230242558-A1 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF NAMPT, NNT, NAPRT RAB9A 1331/4885KMT2A 1449/4885MEN1 1273/4885
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 RAB9A 1266/4885KMT2A 2543/4885MEN1 1682/4885
US-20120252850-A1 NIACIN CONJUGATED FATTY ACID MIXTURES AND THEIR USES FABP1, NAMPT, ADH1B RAB9A 2278/4885KMT2A 3363/4885MEN1 2237/4885
US-20180028674-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN RAB9A 1912/4885KMT2A 2743/4885MEN1 1887/4885
US-20100311694-A1 Set of Geldanamycin Derivatives and Their Preparation Methods HSP90AA1, HSP90AB1, HSP90B1 RAB9A 1628/4885KMT2A 2760/4885MEN1 4079/4885
US-20160346397-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN RAB9A 1912/4885KMT2A 2743/4885MEN1 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.