SCHEMBL3176241

SCHEMBL3176241

O=C(NNc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.75
ALDH1A1 P00352 5/20 0.74
MAPT P10636 4/20 0.74
GAA P10253 4/20 0.74
KDM4E B2RXH2 3/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
GFER P55789 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
RAB9A P51151 1/20 0.64
MAPK1 P28482 1/20 0.63
EPHX1 P07099 1/20 0.57
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.55
ALOX12 P18054 1/20 0.54
MAOA P21397 1/20 0.52
MAOB P27338 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
SCHEMBL425101 0.86 PTGS2 (1.00) PTGS2ALDH1A1MAPTGAAKDM4E
SCHEMBL1594360 0.84 RAB9A (0.68) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL9017504 0.84 PTGS2 (0.96) PTGS2ALDH1A1MAPTGAAKDM4E
SCHEMBL8420633 0.83 PTGS2 (0.78) PTGS2ALDH1A1MAPTGAAKDM4E
SCHEMBL5992136 0.81 PTGS2 (0.75) PTGS2ALDH1A1MAPTGAAKDM4E
SCHEMBL27389992 0.81 PTGS2 (0.75) PTGS2ALDH1A1MAPTGAAKDM4E
SCHEMBL11142311 0.81 PTGS2 (0.75) PTGS2ALDH1A1MAPTGAAKDM4E
SCHEMBL6898441 0.81 PTGS2 (1.00) PTGS2ALDH1A1MAPTGAAKDM4E
SCHEMBL1965784 0.81 MEN1 (0.80) MAPTKDM4ESMN1; SMN2TDP1MEN1
SCHEMBL10906039 0.80 PTGS2 (0.79) PTGS2ALDH1A1MAPTGAAKDM4E

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 7 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-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
US-20070191383-A1 Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US disclosed
EP-1751131-A1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-14 EP disclosed
WO-2005085226-A1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-15 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 (2 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-20070191383-A1 Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles APOB, PNLIP, LPL PTGS2 702/4885ALDH1A1 2700/4885MAPT 4304/4885
US-20100004263-A1 MTP INHIBITING ARYL PIPERIDINES OR PEPERAZINES SUBSTITUTED WITH5-MEMBERED HETEROCYCLES PNLIP, LPL, APOB PTGS2 793/4885ALDH1A1 3136/4885MAPT 4512/4885

“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.