SCHEMBL3277286

SCHEMBL3277286

NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
CES2 O00748 1/20 0.59
TACR1 P25103 1/20 0.53
HDAC3 O15379 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
RHOC P08134 8/20 0.50
RHOA P61586 8/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NSD2 O96028 1/20 0.50
LMNA P02545 1/20 0.50
ALPL P05186 1/20 0.50
POLB P06746 1/20 0.50
ALPI P09923 1/20 0.50
MAPT P10636 1/20 0.50
ALPG P10696 1/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL15542726 0.89 GAA (0.50) GAACES2TACR1HDAC3HDAC8
SCHEMBL16055793 0.82 P2RX1 (0.47) GAAALDH1A1POLBMAPTP2RX1
SCHEMBL21792129 0.82 ALDH1A1 (0.49) GAACES2TACR1ALDH1A1LMNA
SCHEMBL1127884 0.81 GAA (0.68) GAACES2HDAC3ALDH1A1KDM4E
SCHEMBL29646460 0.81 GAA (0.68) GAACES2HDAC3ALDH1A1KDM4E
SCHEMBL182755 0.81 CES2 (0.61) CES2ALDH1A1KDM4ELMNAMAPT
SCHEMBL14880119 0.81 HDAC6 (0.72) GAACES2TACR1HDAC3HDAC8
SCHEMBL14529137 0.80 GAA (0.57) GAACES2TACR1HDAC3HDAC8
SCHEMBL18246233 0.80 KDM4E (0.57) GAACES2KDM4EHDAC1
Hydrochloric Acid SCHEMBL1199080 0.80 GAA (0.67) GAACES2HDAC3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773278-A Quinazoline compound and application thereof in antivirus 苏州大学 2022-07-22 CN claimed
WO-2009109991-A2 NOVEL HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD., (IN) 2009-09-11 WO 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-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-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
CN-114773278-B Quinazoline compound and application thereof in antiviral 苏州大学 2024-07-30 CN disclosed
WO-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 WO disclosed
US-11584726-B2 Amino alcohol derivative, pharmaceutical composition and application thereof BEIJING FORELAND PHARMA CO., LTD. (CN) 2023-02-21 US disclosed
CN-114773278-A Quinazoline compound and application thereof in antivirus 苏州大学 2022-07-22 CN disclosed
US-20210347745-A1 AMINO ALCOHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF BEIJING FORELAND PHARMA CO., LTD. (CN) 2021-11-11 US disclosed
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
EP-1070708-B1 Triazole derivatives HOFFMANN LA ROCHE (CH) 2004-01-14 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
WO-2002070464-A2 HYDRAZONES AND THEIR THERAPEUTIC USE ARPIDA AG (CH) 2002-09-12 WO disclosed
US-6265426-B1 CENTRAL NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2001-07-24 US disclosed
EP-1070708-A1 Triazole and imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-01-24 EP 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 (5 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-20210347745-A1 AMINO ALCOHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SSB, HLA-DRB1, LCP2 GAA 3410/4885CES2 3897/4885TACR1 3586/4885
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 GAA 2351/4885CES2 3084/4885TACR1 2842/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R GAA 4237/4885CES2 3385/4885TACR1 159/4885
US-11584726-B2 Amino alcohol derivative, pharmaceutical composition and application thereof SSB, HLA-DRB1, LCP2 GAA 3410/4885CES2 3897/4885TACR1 3586/4885
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 GAA 2351/4885CES2 3084/4885TACR1 2842/4885

“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.