SCHEMBL54525

SCHEMBL54525

CCCN(C(=O)Nc1ncc[nH]1)C(C)Oc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.41
FFAR2 O15552 1/20 0.41
AHR P35869 1/20 0.41
FGFR3 P22607 1/20 0.34
TSHR P16473 2/20 0.32
CRHR1 P34998 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGDS O60760 1/20 0.31
FPR2 P25090 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
SCHEMBL9421203 0.82 AHR (0.41) PTGESAHRCRHR1
SCHEMBL7888129 0.80 AHR (0.45) PTGESFFAR2AHRFGFR3CRHR1
SCHEMBL54526 0.79 AHR (0.54) PTGESFFAR2AHRFGFR3CRHR1
SCHEMBL7642815 0.73 AHR (0.64) AHR
SCHEMBL9421201 0.70 AHR (0.34) AHRTSHRALDH1A1SMN1; SMN2
SCHEMBL10605066 0.70 RORC (0.43) AHRCRHR1LMNA
SCHEMBL5082576 0.64 AHR (0.57) AHRCRHR1LMNAALDH1A1SMN1; SMN2
SCHEMBL28874057 0.63 AHR (0.58) AHRCRHR1SMN1; SMN2
SCHEMBL3689772 0.62 CNR1 (0.37) AHRFPR2
SCHEMBL10860181 0.62 FPR2 (0.35) AHRFPR2

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 311 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-4496738-A REACTING A PHENOL, AN ALPHA-NUCLEOPHILIC DISUBSTITUTED CARBOXYLIC ACID AND A 1-H-1,2,4-TRIAZOLE BASF AKTIENGESELLSCHAFT (DE) 1985-01-29 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 PTGES 694/4885FFAR2 599/4885AHR 682/4885
US-20110105331-A1 Method of Plant Growth Promotion Using Amide Compounds MYB, GHITM, MKI67 PTGES 477/4885FFAR2 1130/4885AHR 702/4885

“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.