SCHEMBL4115183

SCHEMBL4115183

O=C(O)NN=Cc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
CYP1A2 P05177 2/20 0.62
RAB9A P51151 6/20 0.61
NPC1 O15118 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
G6PD P11413 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
HDAC3 O15379 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
THRB P10828 1/20 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
SCHEMBL4115180 1.00 MEN1 (0.77) MEN1KMT2ACYP1A2RAB9ANPC1
SCHEMBL549490 0.87 MEN1 (1.00) MEN1KMT2ACYP1A2RAB9ANPC1
SCHEMBL78287 0.87 MEN1 (1.00) MEN1KMT2ACYP1A2RAB9ANPC1
SCHEMBL31588094 0.87 MEN1 (0.77) MEN1KMT2ACYP1A2RAB9ANPC1
SCHEMBL333482 0.87 MEN1 (1.00) MEN1KMT2ACYP1A2RAB9ANPC1
SCHEMBL9067815 0.87 MEN1 (1.00) MEN1KMT2ACYP1A2RAB9ANPC1
Phenylsemicarbazone SCHEMBL11882629 0.83 MEN1 (0.71) MEN1KMT2ACYP1A2RAB9ANPC1
SCHEMBL13496984 0.83 MEN1 (0.71) MEN1KMT2ACYP1A2RAB9ANPC1
SCHEMBL28645597 0.83 MEN1 (0.71) MEN1KMT2ACYP1A2RAB9ANPC1
SCHEMBL20053530 0.83 MEN1 (0.71) MEN1KMT2ACYP1A2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013067646-A1 PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS UNIVERSITY OF OTTAWA (CA) 2013-05-16 WO disclosed
EP-1776334-B1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES FIRMENICH & CIE (CH) 2009-10-14 EP disclosed
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-20070141011-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES UNIVERSITE LOUIS PASTEUR (FR) 2007-06-21 US disclosed
EP-1776334-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES FIRMENICH SA (CH) 2007-04-25 EP disclosed
WO-2006016248-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES FIRMENICH SA (CH) 2006-02-16 WO disclosed
US-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists CANO IVAN COLLADO (ES) 2004-05-27 US disclosed
EP-1335908-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2003-08-20 EP disclosed
EP-1181284-B1 DIPHENYL-1,2,3-THIADIAZOL-3-OXIDES, COMPOSITIONS AND METHODS OF USE MERCK FROSST CANADA INC (CA) 2003-07-16 EP disclosed
WO-2002038553-A2 TRIAZOLE DERIVATIVES AND THEIR USE AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 WO disclosed
EP-1181284-A1 DIPHENYL-1,2,3-THIADIAZOL-3-OXIDES, COMPOSITIONS AND METHODS OF USE MERCK FROSST CANADA INC. (CA) 2002-02-27 EP disclosed
WO-2000068215-A1 DIPHENYL-1,2,3-THIADIAZOL-3-OXIDES, COMPOSITIONS AND METHODS OF USE MERCK FROSST CANADA & CO. (CA) 2000-11-16 WO disclosed
EP-0923539-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1999-06-23 EP disclosed
WO-1998003473-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-01-29 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-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists PPARG, PPARA, PPARD MEN1 4880/4885KMT2A 3230/4885CYP1A2 430/4885
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD MEN1 4873/4885KMT2A 3695/4885CYP1A2 452/4885
US-20070141011-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES TRPA1, HCN1, HCN4 MEN1 1479/4885KMT2A 3021/4885CYP1A2 465/4885

“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.