SCHEMBL5338014

SCHEMBL5338014

CN(C)Cc1ccc(OCc2cccc(N)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.59
NOS2 P35228 6/20 0.52
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.41
NOS3 P29474 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL7160249 0.86 NOS1 (0.54) NOS1NOS2KCNH2HRH3ALOX5
SCHEMBL30376292 0.80 TLR8 (0.43) NOS1NOS2HRH3NOS3BACE1
SCHEMBL25380997 0.78 KCNH2 (0.75) NOS1NOS2KCNH2LMNANOS3
SCHEMBL11065856 0.76 NOS2 (0.45) NOS1NOS2NOS3BACE1
SCHEMBL3928241 0.74 MAOB (0.53) KCNH2LMNA
SCHEMBL5344859 0.73 PDE5A (0.45) NOS1ALOX5
SCHEMBL28270439 0.72 ALDH1A1 (0.63) HRH3LMNAALOX5
SCHEMBL22454252 0.70 ALDH1A1 (0.59) HRH3LMNAALOX5
SCHEMBL19685842 0.69 KCNH2 (0.59) KCNH2LMNAALOX5CYSLTR1
SCHEMBL3928236 0.69 BACE1 (0.45) NOS1NOS2KCNH2LMNANOS3

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
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
EP-1309589-B1 UREA COMPOUNDS AND METHODS OF USES AMGEN INC (US) 2006-03-15 EP disclosed
EP-1619184-A2 Urea compounds as kinase inhibitors Amgen, Inc. (US) 2006-01-25 EP disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US disclosed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 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 (4 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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX NOS1 346/4885NOS2 640/4885KCNH2 4400/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX NOS1 137/4885NOS2 203/4885KCNH2 4533/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX NOS1 346/4885NOS2 640/4885KCNH2 4400/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX NOS1 346/4885NOS2 640/4885KCNH2 4400/4885

“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.