SCHEMBL1339989

SCHEMBL1339989

CCCN(C)c1cc(C)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
ALOX15 P16050 2/20 0.43
CYP3A4 P08684 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
S100B P04271 1/20 0.34
TSHR P16473 1/20 0.34
AOC1 P19801 1/20 0.34
HCAR3 P49019 1/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1339554 0.89 TDP1 (0.41) TDP1ALOX15CYP3A4SMN1; SMN2TP53
SCHEMBL19633546 0.85 TDP1 (0.46) TDP1ALOX15CYP3A4SMN1; SMN2TP53
SCHEMBL2977222 0.82 TDP1 (0.41) TDP1ALOX15CYP3A4SMN1; SMN2TP53
SCHEMBL18757121 0.81 HCAR3 (0.36) TDP1CYP3A4SMN1; SMN2TP53ALDH1A1
SCHEMBL24827531 0.80 ALDH1A1 (0.41) TDP1ALDH1A1S100BAOC1HCAR3
SCHEMBL20207784 0.78 AKR1B1 (0.44) TDP1THRBALDH1A1HCAR3
SCHEMBL19250262 0.77 ALDH1A1 (0.41) TDP1ALOX15ALDH1A1HSD17B10NPC1
SCHEMBL18231699 0.77 HCAR3 (0.42) TDP1CYP3A4SMN1; SMN2TP53HCAR3
SCHEMBL1341583 0.76 TDP1 (0.42) TDP1ALOX15CYP3A4SMN1; SMN2TP53
SCHEMBL2840115 0.76 TDP1 (0.54) TDP1ALOX15CYP3A4SMN1; SMN2TP53

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 13 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
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
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2006-08-17 US 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 2180/4885CYP3A4 977/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 TDP1 3398/4885ALOX15 2180/4885CYP3A4 977/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 TDP1 3616/4885ALOX15 2363/4885CYP3A4 922/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 TDP1 3398/4885ALOX15 2180/4885CYP3A4 977/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 TDP1 3398/4885ALOX15 2180/4885CYP3A4 977/4885

“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.