SCHEMBL4435525

SCHEMBL4435525

Cc1c(-c2ccccc2)sc2ncnc(N3CCC(N)CC3)c12

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
ADRB2 P07550 3/20 0.59
ADRB1 P08588 3/20 0.59
ADRB3 P13945 3/20 0.59
LIMK1 P53667 1/20 0.56
STAT3 P40763 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 4/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CHRM4 P08173 2/20 0.46
HTT P42858 1/20 0.46
NOD2 Q9HC29 1/20 0.45

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
SCHEMBL6838303 0.84 MEN1 (0.66) MEN1STAT3SMN1; SMN2LMNAHPGD
SCHEMBL1921227 0.81 LMNA (0.78) MEN1STAT3SMN1; SMN2LMNAHPGD
SCHEMBL12789847 0.79 MEN1 (1.00) MEN1ADRB2ADRB1ADRB3LIMK1
SCHEMBL4432115 0.76 LMNA (0.72) MEN1SMN1; SMN2LMNAHPGDKMT2A
SCHEMBL4553748 0.73 ADRB2 (1.00) ADRB2ADRB1ADRB3
SCHEMBL423214 0.72 LIMK1 (0.72) MEN1ADRB2ADRB1ADRB3LIMK1
SCHEMBL4433890 0.71 ADRB2 (0.51) MEN1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL1003329 0.71 STK3 (0.81) LIMK1MAPK1
SCHEMBL4765789 0.70 LIMK1 (0.68) MEN1ADRB2ADRB1ADRB3LIMK1
SCHEMBL6836530 0.70 MEN1 (0.62) MEN1LMNAKMT2AALDH1A1NPSR1

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
US-8207174-B2 Beta-3 adrenergic receptor agonists; urinary tract infections, incontinence, gastrointestinal disorders, dysmenorrhea, obesity; tocolytic, anxiolytic, antidiabetic agents; antidepressants; 4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol 4SC AG (DE) 2012-06-26 US disclosed
EP-2118086-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEREOF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS 4SC AG (DE) 2009-11-18 EP disclosed
US-20080249114-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS SCHWARZ PHARMA AG (DE) 2008-10-09 US disclosed
WO-2008090140-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEREOF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS 4SC AG (DE) 2008-07-31 WO disclosed
EP-1947103-A1 Aryloxypropanolamines, methods of preparation thereof and use of aryloxypropanolamines as medicaments 4SC AG (DE) 2008-07-23 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-20080249114-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS ADRB3, ADRB1, ADRB2 MEN1 3925/4885ADRB2 3/4885ADRB1 2/4885

“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.