SCHEMBL54526

SCHEMBL54526

CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1ncc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.54
NPSR1 Q6W5P4 1/20 0.41
PTGES O14684 5/20 0.39
FFAR2 O15552 1/20 0.38
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
CRHR1 P34998 1/20 0.35
FGFR3 P22607 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7888129 0.90 AHR (0.45) AHRNPSR1PTGESFFAR2KDM4E
SCHEMBL5082576 0.81 AHR (0.57) AHRNPSR1KDM4ETDP1CRHR1
SCHEMBL54525 0.79 PTGES (0.41) AHRPTGESFFAR2CRHR1FGFR3
SCHEMBL29944970 0.78 AHR (0.56) AHRNPSR1KDM4ETDP1CRHR1
SCHEMBL28427829 0.76 AHR (0.61) AHRNPSR1KDM4ETDP1CRHR1
SCHEMBL11204376 0.76 AHR (0.52) AHRKDM4ETDP1CRHR1MEN1
SCHEMBL29450705 0.75 AHR (0.60) AHRNPSR1KDM4ETDP1CRHR1
SCHEMBL27471620 0.74 AHR (0.72) AHRNPSR1KDM4ETDP1CRHR1
Imidazole SCHEMBL6432298 0.74 AHR (0.57) AHRKDM4ETDP1CRHR1MEN1
SCHEMBL11201887 0.74 AHR (0.59) AHRNPSR1KDM4ETDP1CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4900736-A Salts of alkyl-2-benzimidazole-carbamate and fungicidal compositions thereof suitable for paints and plaster SCHULKE MAYR, GMBH (DE) 1990-02-13 US claimed
US-8877681-B2 Use of specific alcohol alkoxylates as an adjuvant for agrotechnical applications BASF SE (DE) 2014-11-04 US disclosed
US-8802120-B2 Bioactive agrichemical compositions and use thereof SCIESSENT LLC (US) 2014-08-12 US disclosed
EP-1659864-B1 METHOD OF PLANT GROWTH PROMOTION USING AMIDE COMPOUNDS BASF SE (DE) 2013-09-18 EP disclosed
US-20130012556-A1 Bioactive Agrichemical Compositions and Use Thereof SCIESSENT LLC (US) 2013-01-10 US disclosed
US-20120264607-A1 USE OF SPECIFIC ALCOHOL ALKOXYLATES AS AN ADJUVANT FOR AGROTECHNICAL APPLICATIONS BERGHAUS RAINER (DE) 2012-10-18 US disclosed
US-8287893-B2 Bioactive agrichemical compositions and use thereof SCIESSENT LLC (US) 2012-10-16 US disclosed
EP-2497363-A1 Bioactive agrichemical compositions and use thereof Sciessent, LLC (US) 2012-09-12 EP disclosed
US-8129312-B2 Use of defined alcohol alkoxylates as adjuvants in the agrotechnical field BASF SE (DE) 2012-03-06 US disclosed
US-20110105331-A1 Method of Plant Growth Promotion Using Amide Compounds BAYER CROPSCIENCE AG (DE) 2011-05-05 US disclosed
US-4464381-A Fungicides containing azolylmethyloxiranes BASF AKTIENGESELLSCHAFT (DE) 1984-08-07 US disclosed
US-4456608-A Azole compounds, their preparation, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1984-06-26 US disclosed
US-4431812-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1984-02-14 US disclosed
US-4411687-A α-Azolyl-glycol derivatives, as fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1983-10-25 US disclosed
US-4410538-A THIADIAZOLYLCARBONYL-CUBSTITUTED BASF AKTIENGESELLSCHAFT (DE) 1983-10-18 US disclosed
US-4380546-A Azole compounds, their preparation, their use for crop treatment, and agents for this purpose BASF AKTIENGESELLSCHAFT (DE) 1983-04-19 US disclosed
US-4371525-A Silyl-benzimidazole-2-carbamic acid esters and their use as fungicides BASF AKTIENGESELLSCHAFT (DE) 1983-02-01 US disclosed
US-4359471-A 2-(N-Aryl,N-1,2,3-thiadiazolylcarbonyl)-aminobutyro-lactones, their preparation, fungicidal agents containing these compounds, and their use as fungicides BASF AKTIENGESELLSCHAFT (DE) 1982-11-16 US disclosed
US-4330535-A Fungicidal azolyl-silyl-glycol ethers, their use for combating fungi, and agents therefor BASF AKTIENGESELLSCHAFT (DE) 1982-05-18 US disclosed
US-4328236-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-05-04 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 (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-20120264607-A1 USE OF SPECIFIC ALCOHOL ALKOXYLATES AS AN ADJUVANT FOR AGROTECHNICAL APPLICATIONS ADH5, ALKBH3, ADH1C AHR 682/4885NPSR1 3772/4885PTGES 694/4885
US-20110105331-A1 Method of Plant Growth Promotion Using Amide Compounds MYB, GHITM, MKI67 AHR 702/4885NPSR1 1360/4885PTGES 477/4885

“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.