SCHEMBL473873

SCHEMBL473873

Cc1c[c]cc(C)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HAVCR2 Q8TDQ0 1/20 0.37
TSHR P16473 1/20 0.35
RECQL P46063 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
UPP1 Q16831 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
CYP2A6 P11509 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL15064106 0.74
SCHEMBL1344362 0.71 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8851985 0.71 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL102473 0.71 CYP1A2 (0.59) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL457197 0.70 TSHR (0.41) TSHR
SCHEMBL7975208 0.69 CYP1A2 (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL31050110 0.69 CYP1A2 (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL7213721 0.69 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2153883 0.69 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL28349620 0.69 CYP1A2 (0.57) KDM4EALDH1A1HPGDMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP claimed
US-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2008-07-17 US claimed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
EP-1817309-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES Syngeta Participations AG (CH) 2007-08-15 EP claimed
WO-2006058700-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-08 WO claimed
EP-0310904-A1 Treated substrates for chromatographic use KSV-Chemicals Oy (FI) 1989-04-12 EP claimed
CN-108530376-A A kind of organic small molecule material and preparation and application based on 2,6- dimethyl -4- cyanophenyl receptor units 华南理工大学 2018-09-14 CN disclosed
CN-107849072-A EP4 activator bisphosphonates of acid amides connection and application thereof 西蒙弗雷泽大学 2018-03-27 CN disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
EP-0310904-A1 Treated substrates for chromatographic use KSV-Chemicals Oy (FI) 1989-04-12 EP disclosed
US-4756971-A Silicon compound or polysiloxane for treating hydrophilic surface such as glass KSV-CHEMICALS OY (FI) 1988-07-12 US disclosed
EP-0207977-A1 SURFACE TREATMENT AGENTS AND POLYMERS KSV-Chemicals Oy (FI) 1987-01-14 EP disclosed
WO-1986004063-A1 SURFACE TREATMENT AGENTS AND POLYMERS KSV-CHEMICALS OY (FI) 1986-07-17 WO disclosed
US-4293717-A Process for preparing aldehydes and diols BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US disclosed
US-3974224-A HYDROGEN PEROXIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3972944-A BORON OXIDE, BORIC ACID OR BORATE AND VANADIUM OR MOLYBDENUM CONTAINING CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 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 (1 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-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants NAT1, DPM1, AADAC KDM4E 929/4885ALDH1A1 895/4885HPGD 4169/4885

“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.