SCHEMBL1339554

SCHEMBL1339554

CCCCN(C)c1cc(C)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 2/20 0.41
THRB P10828 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SKP2 Q13309 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.35
TLR8 Q9NR97 2/20 0.34
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
S100B P04271 1/20 0.33
TSHR P16473 1/20 0.33
CA1 P00915 1/20 0.32
GPX4 P36969 1/20 0.32

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
SCHEMBL1339989 0.89 TDP1 (0.43) TDP1ALOX15THRBTP53CYP3A4
SCHEMBL2977222 0.86 TDP1 (0.41) TDP1ALOX15THRBTP53CYP3A4
SCHEMBL19633546 0.82 TDP1 (0.46) TDP1ALOX15THRBTP53CYP3A4
SCHEMBL20888888 0.78 TP53 (0.39) TDP1ALOX15THRBTP53CYP3A4
SCHEMBL23469288 0.77 ALDH1A1 (0.38) THRBTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL12046959 0.77 ACHE (0.44) TDP1THRBCYP3A4SMN1; SMN2MAPT
SCHEMBL11320774 0.77 CYP1A2 (0.43) TDP1ALOX15CYP3A4SMN1; SMN2MAPT
SCHEMBL7997975 0.76 ALDH1A1 (0.40) THRBTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL10782753 0.76 S100B (0.40) TDP1ALOX15THRBTP53CYP3A4
SCHEMBL1341583 0.74 TDP1 (0.42) TDP1ALOX15THRBTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45670-E1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2015-09-15 US disclosed
CN-101130526-B Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK AS 2013-07-10 CN disclosed
EP-2471533-A1 Aryl carbonyl derivatives as therapeutic agents Novo Nordisk A/S (DK) 2012-07-04 EP disclosed
US-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2011-12-08 US disclosed
US-8063081-B2 N-(2-Phenoxyphenyl)-N'-(thiazol-2-yl)urea; glucokinase inhibitor; antidiabetic, hypoglycemic agent; activators of glucokinase NOVO NORDISK A/S (DK) 2011-11-22 US disclosed
US-7897628-B2 {2-[3-(4-Methyl-2-[2-methypropoxy]phenyl)-ureido]-thiazol-4-yl}-acetic acid ethyl ester; glucokinase inhibitor; antidiabetic, hypoglycemic agent; activators of glucokinase NOVO NORDISK A/S (DK) 2011-03-01 US disclosed
US-7541373-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2009-06-02 US disclosed
US-7384967-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-06-10 US disclosed
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
CN-101130526-A Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK AS (DK) 2008-02-27 CN disclosed
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2006-08-17 US disclosed
CN-1678311-A Arylcarbonyl derivatives useful as therapeutic agents NOVO NORDISK AS (DK) 2005-10-05 CN disclosed
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 US disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO 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 (5 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-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS GCK, GCKR, PDK2 TDP1 3398/4885ALOX15 2180/4885THRB 1931/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 TDP1 3398/4885ALOX15 2180/4885THRB 1931/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 TDP1 3616/4885ALOX15 2363/4885THRB 2524/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 TDP1 3398/4885ALOX15 2180/4885THRB 1931/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 TDP1 3398/4885ALOX15 2180/4885THRB 1931/4885

“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.