SCHEMBL182755

SCHEMBL182755

NNC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.61
CES1 P23141 2/20 0.61
MPO P05164 2/20 0.59
CYP3A4 P08684 2/20 0.59
KDM5A P29375 1/20 0.59
BLM P54132 1/20 0.59
GFER P55789 1/20 0.59
PMP22 Q01453 1/20 0.59
HIF1A Q16665 1/20 0.59
ALDH1A1 P00352 3/20 0.59
PTGS1 P23219 3/20 0.58
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.57
OGG1 O15527 1/20 0.57
LMNA P02545 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CYP1A2 P05177 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2A6 P11509 1/20 0.57

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
SCHEMBL14476625 0.94 KIF11 (0.56) CES2CES1MPOCYP3A4KDM5A
SCHEMBL30378627 0.86 CES2 (0.55) CES2CES1PTGS1PTPN1GSK3B
SCHEMBL2678949 0.83 MPO (0.80) MPOCYP3A4KDM5ABLMGFER
SCHEMBL343630 0.83 MPO (0.80) MPOCYP3A4KDM5ABLMGFER
SCHEMBL8928282 0.83 MPO (0.55) CES2CES1MPOCYP3A4KDM5A
SCHEMBL21434671 0.83 MPO (0.55) MPOCYP3A4KDM5ABLMGFER
SCHEMBL28188923 0.81 MPO (0.76) MPOCYP3A4KDM5ABLMGFER
SCHEMBL3277286 0.81 GAA (0.61) CES2BLMALDH1A1KDM4EMAPT
SCHEMBL29987081 0.80 PTPN1 (0.75) CES2CES1ALDH1A1MAPTPTPN1
SCHEMBL14880225 0.80 CES2 (0.64) CES2CES1PTGS1SRD5A2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116253674-A Method for preparing tecovirime 青岛增益安生物科技有限公司 2023-06-13 CN claimed
US-11398630-B2 Method of generating energy from a hydrazide containing anode fuel, and fuel cell IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-07-26 US claimed
CN-110117235-B Compound with aggregation-induced light emission and mechanochromism characteristics and preparation method and application thereof 江苏萨瑞斯医疗科技有限公司 2022-05-31 CN claimed
CN-112645940-A 1,3, 4-oxadiazole-norfloxacin heterozygote and preparation method and application thereof 广东省微生物研究所(广东省微生物分析检测中心) 2021-04-13 CN claimed
CN-112592339-A 1,3, 4-oxadiazole-2 (3H) -thione-norfloxacin heterozygote and preparation method and application thereof 广东省微生物研究所(广东省微生物分析检测中心) 2021-04-02 CN claimed
US-20210005900-A1 METHOD OF GENERATING ENERGY FROM A HYDRAZIDE CONTAINING ANODE FUEL, AND FUEL CELL IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2021-01-07 US claimed
CN-110117235-A The compound and its preparation method and application of color shifting properties is caused with aggregation-induced emission and power 江苏萨瑞斯医疗科技有限公司 2019-08-13 CN claimed
EP-1638938-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECH INC (US) 2017-04-12 EP claimed
CN-104710379-B Synthetic method for BMS-191011 华南理工大学 2017-01-18 CN claimed
CN-104758281-A Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES INC 2015-07-08 CN 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
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP 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
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO 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

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-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 CES2 3460/4885CES1 2554/4885MPO 2665/4885
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 CES2 3460/4885CES1 2554/4885MPO 2665/4885
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 CES2 3084/4885CES1 2416/4885MPO 1942/4885

“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.