SCHEMBL5217337

SCHEMBL5217337

NNC(=O)c1cccnc1Nc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.75
KMT2A Q03164 10/20 0.75
MAPT P10636 8/20 0.75
ALDH1A1 P00352 5/20 0.75
GAA P10253 2/20 0.75
DHODH Q02127 4/20 0.71
RAB9A P51151 5/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
P2RX7 Q99572 1/20 0.55
AHR P35869 1/20 0.55
KDR P35968 1/20 0.53
HTT P42858 2/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GLA P06280 1/20 0.52
TDP1 Q9NUW8 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
SCHEMBL9075528 0.86 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL479805 0.84 DHODH (0.76) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL479877 0.83 DHODH (1.00) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL28816740 0.83 DHODH (0.81) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL23388818 0.83 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL29968544 0.83 LMNA (0.58) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL23388895 0.83 LMNA (0.58) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL29888247 0.83 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL846930 0.81 DHODH (0.76) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL16777164 0.80 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1GAA

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
EP-1392219-A4 SUBSTITUTED N'-(ARYLCARBONYL)-BENZHYDRAZIDES, N'-(ARYLCARBONYL)-BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2007-01-24 EP disclosed
US-7074813-B2 Substituted N′-(arylcarbonyl)-benzhydrazides, N′-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-07-11 US disclosed
US-20040186078-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-09-23 US disclosed
US-6716859-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-04-06 US disclosed
EP-1392219-A2 SUBSTITUTED N'-(ARYLCARBONYL)-BENZHYDRAZIDES, N'-(ARYLCARBONYL)-BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-03-03 EP disclosed
US-20030013743-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-01-16 US disclosed
WO-2002089745-A2 SUBSTITUTED N'-(ARYLCARBONYL)-BENZHYDRAZIDES, N'-(ARYLCARBONYL)-BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-11-14 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-20040186078-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP2, CASP1, BCL2 MEN1 2707/4885KMT2A 2862/4885MAPT 4807/4885
US-20030013743-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP2, CASP1, BCL2 MEN1 2707/4885KMT2A 2862/4885MAPT 4807/4885

“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.