SCHEMBL3581403

SCHEMBL3581403

CCOC(=O)N/N=C/N(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
MIF P14174 1/20 0.49
CYP1A2 P05177 4/20 0.47
SMN1; SMN2 Q16637 9/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 3/20 0.44
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL3581405 1.00 GAA (0.51) GAAMIFCYP1A2SMN1; SMN2L3MBTL1
SCHEMBL3173673 0.79 LMNA (0.48) GAAMIFSMN1; SMN2RAB9ANPC1
SCHEMBL3173677 0.79 LMNA (0.48) GAAMIFSMN1; SMN2RAB9ANPC1
SCHEMBL14196325 0.78
SCHEMBL4660002 0.76 GAA (0.54) GAAMIFCYP1A2SMN1; SMN2L3MBTL1
SCHEMBL3031341 0.74
SCHEMBL3031343 0.74
SCHEMBL23131067 0.74 GAA (0.57) GAAMIFCYP1A2SMN1; SMN2L3MBTL1
SCHEMBL19157412 0.74 SMN1; SMN2 (0.55) GAAMIFCYP1A2SMN1; SMN2L3MBTL1
SCHEMBL17577099 0.74 GAA (0.53) GAAMIFCYP1A2SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816360-B2 Microsomal triglyceride transfer protein (MTP) inhibitors, used for the treatment of atherosclerosis, pancreatitis, obesity, hypertriglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and non-insulin dependent diabetes JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 US disclosed
US-7816360-B2 Microsomal triglyceride transfer protein (MTP) inhibitors, used for the treatment of atherosclerosis, pancreatitis, obesity, hypertriglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and non-insulin dependent diabetes JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 US disclosed
US-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 US disclosed
US-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 US disclosed
US-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 US disclosed
US-20100004263-A1 MTP INHIBITING ARYL PIPERIDINES OR PEPERAZINES SUBSTITUTED WITH5-MEMBERED HETEROCYCLES MEERPOEL LIEVEN 2010-01-07 US disclosed
US-20100004263-A1 MTP INHIBITING ARYL PIPERIDINES OR PEPERAZINES SUBSTITUTED WITH5-MEMBERED HETEROCYCLES MEERPOEL LIEVEN 2010-01-07 US disclosed
US-7504400-B2 for the treatment of atherosclerosis, pancreatitis, obesity, hyper-triglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and type II diabetes; apolipoprotein B secretion inhibitors also for lipid lowering activity; compounds can selectively block MTP at the level of the gut wall in mammals JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed
US-7504400-B2 for the treatment of atherosclerosis, pancreatitis, obesity, hyper-triglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and type II diabetes; apolipoprotein B secretion inhibitors also for lipid lowering activity; compounds can selectively block MTP at the level of the gut wall in mammals JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed
EP-1831185-A1 TRIAZOLONE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS ALPHA-2C ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-12 EP disclosed
US-20070191383-A1 Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US disclosed
US-20070191383-A1 Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US disclosed
WO-2006067139-A1 TRIAZOLONE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS ALPHA-2C ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
EP-0754180-B1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA NV (BE) 2001-10-31 EP disclosed
US-5650411-A BACTERICIDES FOR HELICOBACTER DISEASES AND BACTERIA RESISTANCE JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-22 US disclosed
EP-0754180-A1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1997-01-22 EP disclosed
EP-0684821-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1995-12-06 EP disclosed
WO-1995027704-A1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-19 WO disclosed
WO-1994018978-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1994-09-01 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 (3 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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 GAA 1533/4885MIF 2475/4885CYP1A2 151/4885
US-20070191383-A1 Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles APOB, PNLIP, LPL GAA 656/4885MIF 597/4885CYP1A2 1647/4885
US-20100004263-A1 MTP INHIBITING ARYL PIPERIDINES OR PEPERAZINES SUBSTITUTED WITH5-MEMBERED HETEROCYCLES PNLIP, LPL, APOB GAA 504/4885MIF 1096/4885CYP1A2 1911/4885

“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.