SCHEMBL6521265

SCHEMBL6521265

NCCOCCNC(=O)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
MEN1 O00255 4/20 0.65
CYP3A4 P08684 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 3/20 0.62
CYP2C19 P33261 3/20 0.62
ALOX15 P16050 1/20 0.62
HSD17B10 Q99714 1/20 0.62
USP2 O75604 1/20 0.61
ALDH1A1 P00352 4/20 0.58
MAPT P10636 2/20 0.58
PKM P14618 1/20 0.58
THRB P10828 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
LMNA P02545 3/20 0.56
POLB P06746 1/20 0.55
EPHX2 P34913 2/20 0.54

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
SCHEMBL10331458 0.99 KMT2A (0.64) KMT2AMEN1CYP3A4CYP1A2CYP2C9
SCHEMBL6518512 0.87 KMT2A (0.67) KMT2AMEN1CYP3A4CYP1A2CYP2C9
SCHEMBL16448998 0.86 KMT2A (0.69) KMT2AMEN1CYP3A4CYP1A2CYP2C9
SCHEMBL19591887 0.86 KMT2A (0.73) KMT2AMEN1CYP3A4CYP1A2CYP2C9
SCHEMBL732195 0.85 THRB (0.68) KMT2AMEN1CYP3A4CYP1A2CYP2C9
SCHEMBL25030583 0.85 KMT2A (0.67) KMT2AMEN1CYP3A4CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL4780686 0.84 THRB (0.66) KMT2AMEN1CYP3A4CYP1A2CYP2C9
SCHEMBL1116738 0.82 KMT2A (0.76) KMT2AMEN1CYP3A4CYP1A2CYP2C9
SCHEMBL29634495 0.82 KMT2A (0.76) KMT2AMEN1CYP3A4CYP1A2CYP2C9
SCHEMBL10894696 0.82 EPHX2 (0.68) KMT2AMEN1CYP3A4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028674-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2018-02-01 US disclosed
US-20180028674-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2018-02-01 US disclosed
US-20180028674-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2018-02-01 US disclosed
US-RE46605-E1 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
US-RE46608-E1 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2017-11-14 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
US-RE46605-E1 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
US-RE46608-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-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
US-20120184585-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-07-19 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
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-20110053990-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-03-03 US 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 (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-20110053990-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN KMT2A 2743/4885MEN1 1887/4885CYP3A4 1186/4885
US-20120184585-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN KMT2A 2743/4885MEN1 1887/4885CYP3A4 1186/4885
US-20120252850-A1 NIACIN CONJUGATED FATTY ACID MIXTURES AND THEIR USES FABP1, NAMPT, ADH1B KMT2A 3363/4885MEN1 2237/4885CYP3A4 1316/4885
US-20180028674-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN KMT2A 2743/4885MEN1 1887/4885CYP3A4 1186/4885

“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.