SCHEMBL3173673

SCHEMBL3173673

COC(=O)N/N=C/N(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.44
MIF P14174 1/20 0.43
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 5/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.35
PKM P14618 1/20 0.34
PTGES O14684 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL3173677 1.00 LMNA (0.48) LMNAKDM4ESMN1; SMN2MIFNPC1
SCHEMBL3581403 0.79 GAA (0.51) LMNAKDM4ESMN1; SMN2MIFNPC1
SCHEMBL3581405 0.79 GAA (0.51) LMNAKDM4ESMN1; SMN2MIFNPC1
SCHEMBL3031341 0.76
SCHEMBL3031343 0.76
SCHEMBL15043322 0.76
SCHEMBL19133302 0.75 LMNA (0.56) LMNAKDM4ESMN1; SMN2MIFNPC1
SCHEMBL535480 0.73
SCHEMBL16659212 0.71
SCHEMBL18706184 0.71 KDM4E (0.46) LMNAKDM4ESMN1; SMN2RAB9AALDH1A1

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 8 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-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-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-1751131-B1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA NV (BE) 2008-11-19 EP 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
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

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 LMNA 3405/4885KDM4E 3793/4885SMN1; SMN2 362/4885
US-20070191383-A1 Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles APOB, PNLIP, LPL LMNA 2586/4885KDM4E 3377/4885SMN1; SMN2 4241/4885
US-20100004263-A1 MTP INHIBITING ARYL PIPERIDINES OR PEPERAZINES SUBSTITUTED WITH5-MEMBERED HETEROCYCLES PNLIP, LPL, APOB LMNA 1815/4885KDM4E 2768/4885SMN1; SMN2 4563/4885

“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.