SCHEMBL3975476

SCHEMBL3975476

NN=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.53
PTGS2 P35354 2/20 0.53
PTGS1 P23219 2/20 0.53
MAOB P27338 1/20 0.52
CYP1A2 P05177 1/20 0.44
AHR P35869 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
PLAU P00749 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL17712792 1.00 LMNA (0.53) LMNAALDH1A1PTGS2PTGS1MAOB
SCHEMBL5666445 0.80 MAOB (0.74) LMNAALDH1A1PTGS2PTGS1MAOB
SCHEMBL6779811 0.80 MAOB (0.74) LMNAALDH1A1PTGS2PTGS1MAOB
SCHEMBL27662796 0.79 LMNA (0.50) LMNAALDH1A1PTGS2PTGS1CYP1A2
SCHEMBL2165990 0.77 LMNA (0.53) LMNAALDH1A1PTGS2PTGS1CYP1A2
SCHEMBL9507242 0.77 LMNA (0.49) LMNAALDH1A1PTGS2PTGS1CYP1A2
SCHEMBL2117755 0.77 LMNA (0.53) LMNAALDH1A1PTGS2PTGS1CYP1A2
SCHEMBL2117754 0.77 LMNA (0.53) LMNAALDH1A1PTGS2PTGS1CYP1A2
SCHEMBL4834072 0.77 PTGS2 (0.49) LMNAALDH1A1PTGS2PTGS1CYP1A2
SCHEMBL9507246 0.77 LMNA (0.49) LMNAALDH1A1PTGS2PTGS1CYP1A2

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232070-A Quinolinone alkaloid derivative containing acylhydrazone group on 1-site nitrogen atom and preparation method and application thereof 太原理工大学 2022-10-25 CN claimed
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 claimed
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 claimed
US-6716859-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-04-06 US claimed
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 claimed
US-20030105140-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-06-05 US claimed
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 claimed
WO-2002102301-A2 SUBSTITUTED INDOLE-2-CARBOXYLIC ACID BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-12-27 WO claimed
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 claimed
US-20020128292-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2002-09-12 US claimed
US-4649148-A Insecticidal uses of diaminoguanidine hydrazone compounds AMERICAN CYANAMID COMPANY (US) 1987-03-10 US claimed
US-4575560-A ANTIFEEDING AGENTS AMERICAN CYANAMID COMPANY (US) 1986-03-11 US claimed
CN-115232070-B Quinolinone alkaloid derivative containing acylhydrazone group on 1-position nitrogen atom, and preparation method and application thereof 太原理工大学 2023-06-30 CN disclosed
CN-115232070-A Quinolinone alkaloid derivative containing acylhydrazone group on 1-site nitrogen atom and preparation method and application thereof 太原理工大学 2022-10-25 CN disclosed
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 EP disclosed
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 EP disclosed
US-20020128292-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2002-09-12 US disclosed
US-4754067-A REACTING A SYMETRICAL DIAMINOGUANIDINE WITH HYDROXYLAMINE HYDROCHLORIDE AMERICAN CYANAMID COMPANY (US) 1988-06-28 US disclosed
US-4649148-A Insecticidal uses of diaminoguanidine hydrazone compounds AMERICAN CYANAMID COMPANY (US) 1987-03-10 US disclosed
US-4575560-A ANTIFEEDING AGENTS AMERICAN CYANAMID COMPANY (US) 1986-03-11 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 (4 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-20020128292-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof BAD, API5, CASP2 LMNA 1924/4885ALDH1A1 144/4885PTGS2 828/4885
US-20030105140-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof BAD, API5, CASP2 LMNA 1924/4885ALDH1A1 144/4885PTGS2 828/4885
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 LMNA 809/4885ALDH1A1 140/4885PTGS2 1436/4885
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 LMNA 809/4885ALDH1A1 140/4885PTGS2 1436/4885

“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.