SCHEMBL4014336

SCHEMBL4014336

O=C(O)CNCCOc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
TDP1 Q9NUW8 2/20 0.56
MAPT P10636 6/20 0.56
HPGD P15428 4/20 0.56
TSHR P16473 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ACHE P22303 1/20 0.53
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 3/20 0.52
NPC1 O15118 2/20 0.52
PKM P14618 2/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 1/20 0.52
RECQL P46063 1/20 0.51

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
SCHEMBL14209682 0.89 MAPT (0.62) MEN1KMT2ATDP1MAPTHPGD
SCHEMBL5695090 0.87 TDP1 (0.65) TDP1MAPTHPGDTSHRL3MBTL1
SCHEMBL6142006 0.82 MEN1 (0.67) MEN1KMT2ATDP1MAPTHPGD
SCHEMBL27374650 0.80 MEN1 (0.84) MEN1KMT2ATDP1MAPTHPGD
SCHEMBL4014301 0.80 MEN1 (0.67) MEN1KMT2ATDP1MAPTHPGD
SCHEMBL4293548 0.77 MEN1 (0.74) MEN1KMT2ATDP1MAPTHPGD
SCHEMBL12218388 0.77 MAPT (0.72) MEN1KMT2ATDP1MAPTHPGD
SCHEMBL27733269 0.77 TDP1 (0.74) MEN1KMT2ATDP1MAPTHPGD
SCHEMBL10016463 0.76 MEN1 (1.00) MEN1KMT2ATDP1MAPTHPGD
SCHEMBL10859430 0.76 MEN1 (0.65) MEN1KMT2ATDP1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP claimed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US claimed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 US claimed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 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 (1 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-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R MEN1 1225/4885KMT2A 571/4885TDP1 4478/4885

“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.