SCHEMBL6747264

SCHEMBL6747264

COc1cc(NOC(C)=O)c(Cl)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
FGFR3 P22607 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36

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
SCHEMBL374670 0.81 HSD17B1 (0.48) SMN1; SMN2USP2CYP3A4MAPK1CYP1A1
SCHEMBL3976468 0.78 CYP1A1 (0.44) SMN1; SMN2MAPK1CYP1A1CYP1A2CYP1B1
SCHEMBL15127717 0.73 NPC1 (0.38) USP2CYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL3970186 0.72 ALDH1A1 (0.40) CYP3A4CYP1A1CYP1A2CYP1B1KMT2A
SCHEMBL15883267 0.71 ALDH1A1 (0.53) SMN1; SMN2USP2CYP3A4MAPK1CYP1A1
SCHEMBL6751046 0.71 KMT2A (0.50) SMN1; SMN2CYP3A4MAPK1CYP1A2KMT2A
SCHEMBL3970999 0.70 GAA (0.50) SMN1; SMN2USP2CYP3A4MAPK1CYP1A2
SCHEMBL6751051 0.70 ALDH1A1 (0.45) CYP1A1CYP1A2CYP1B1KMT2AMEN1
SCHEMBL3965223 0.68 KDM4E (0.47) SMN1; SMN2USP2CYP3A4MAPK1KMT2A
SCHEMBL28333323 0.68 KMT2A (0.53) SMN1; SMN2MAPK1KMT2AMEN1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472231-A1 2'-HALO-3',5'-DIALKOXYPHEN-1'-YL-IMINO-2-IMIDAZOLIDINE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF URINARY INCONTINENCE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-11-03 EP disclosed
US-6703409-B2 NITROGEN COMPOUNDS SUCH AS 2'-CHLORO-3',5'-DIMETHOXYPHEN-1'-YL -IMINO-2-IMIDAZOLIDINE OR ISOMERS, USED AS PREFERENTIAL ADRENOCEPTOR AGONISTS FOR PREVENTION OF INCONTINENCE; SIDE EFFECT REDUCTION BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-03-09 US disclosed
US-20030162822-A1 2'-Halo-3',5'-dialkoxyphen-1'-yl-imino-2-imidazolidine and the use thereof as a drug BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-28 US disclosed
WO-2003064398-A1 2'-HALO-3',5'-DIALKOXYPHEN-1'-YL-IMINO-2-IMIDAZOLIDINE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF URINARY INCONTINENCE BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-08-07 WO disclosed
EP-1333028-A1 2'-Halo-3',5'-dialkoxyphen-1'-yl-imino-2-imidazolidine derivatives and the use thereof for the treatment of urinary incontinence Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-08-06 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 (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-20030162822-A1 2'-Halo-3',5'-dialkoxyphen-1'-yl-imino-2-imidazolidine and the use thereof as a drug ADRA2C, CLIC1, WNK3 SMN1; SMN2 2773/4885USP2 2166/4885CYP3A4 214/4885

“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.