SCHEMBL1551901

SCHEMBL1551901

CC(C)(F)c1nc(N)nc(NC2CCCc3ccccc32)n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
KCNN3 Q9UGI6 1/20 0.44
PFKFB3 Q16875 4/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
ADRA1A P35348 2/20 0.43
DHFR P00374 1/20 0.42
GLP1R P43220 1/20 0.40
CD38 P28907 2/20 0.40

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
SCHEMBL3212547 1.00 LMNA (0.45) LMNAHDAC6KCNN3PFKFB3ADRA2A
SCHEMBL1551824 1.00 LMNA (0.45) LMNAHDAC6KCNN3PFKFB3ADRA2A
SCHEMBL1552285 0.93 PDPK1 (0.43) ADRA2BADRA2CADRA1A
SCHEMBL1551689 0.93 PDPK1 (0.43) ADRA2BADRA2CADRA1A
SCHEMBL5434980 0.86 PFKFB3 (0.39) LMNAHDAC6PFKFB3DHFRCD38
SCHEMBL1551293 0.86 PFKFB3 (0.39) LMNAHDAC6PFKFB3DHFRCD38
SCHEMBL5428899 0.86 PFKFB3 (0.39) LMNAHDAC6PFKFB3DHFRCD38
SCHEMBL21524773 0.82 PFKFB3 (0.52) LMNAHDAC6KCNN3PFKFB3ADRA2A
SCHEMBL1552304 0.82 TAS1R3 (0.39) LMNADHFR
SCHEMBL1551773 0.82 TAS1R3 (0.39) LMNADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2012588-B1 AQUEOUS SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2011-04-27 EP disclosed
US-20100048400-A1 HERBICIDE COMBINATION BAYER CROPSCIENCE AG (DE) 2010-02-25 US disclosed
EP-2147600-A1 Method for weed control in lawn Bayer CropScience AG (DE) 2010-01-27 EP disclosed
EP-1958509-A1 Herbicide combination Bayer CropScience AG (DE) 2008-08-20 EP disclosed
EP-1854355-A1 Aqueous suspension concentrates Bayer CropScience AG (DE) 2007-11-14 EP disclosed
US-20070219095-A1 AQUEOUS SUSPENSION CONCENTRATES BAYER CROPSCIENCE GMBH (DE) 2007-09-20 US disclosed
US-20070123424-A1 AQUEOUS SUSPENSION CONCENTRATES BAYER CROPSCIENCE GMBH (DE) 2007-05-31 US disclosed
EP-1790227-A1 Aqueous suspension-concentrates of 2,4-diamino-s-triazine herbicides Bayer CropScience AG (DE) 2007-05-30 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 (3 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-20070123424-A1 AQUEOUS SUSPENSION CONCENTRATES ASH2L, SPATS2L, AS3MT LMNA 4624/4885HDAC6 2426/4885KCNN3 2331/4885
US-20070219095-A1 AQUEOUS SUSPENSION CONCENTRATES SLC43A1, AS3MT, SLC7A5 LMNA 4673/4885HDAC6 3446/4885KCNN3 1335/4885
US-20100048400-A1 HERBICIDE COMBINATION DDT, DRD1, DRD2 LMNA 4777/4885HDAC6 2212/4885KCNN3 3851/4885

“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.