SCHEMBL999513

SCHEMBL999513

CCOC(=O)Cc1nc(N)sc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 6/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FHIT P49789 1/20 0.40
ABCB1 P08183 1/20 0.40
GAA P10253 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CHEK1 O14757 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
Bromide SCHEMBL2435419 0.86 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1CYP1A2HPGDMAPK1
SCHEMBL750253 0.85 GAA (0.54) SMN1; SMN2ALDH1A1CYP1A2HPGDMAPK1
SCHEMBL999179 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CYP1A2HPGDMAPK1
SCHEMBL998860 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CYP1A2HPGDMAPK1
SCHEMBL29093433 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CYP1A2HPGDMAPK1
SCHEMBL13799644 0.83 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPK1POLBMEN1
SCHEMBL2720641 0.83 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL25429739 0.81 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPK1POLBMEN1
SCHEMBL28257480 0.80 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL1417449 0.79 NOS1 (0.43) SMN1; SMN2ALDH1A1CYP1A2HPGDHSD17B10

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150996-A1 B-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS NINGXIA ACADEMY OF AGRICULTURE AND FORESTRY SCIENCES (CN) 2023-05-18 US disclosed
US-20230150996-A1 B-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS NINGXIA ACADEMY OF AGRICULTURE AND FORESTRY SCIENCES (CN) 2023-05-18 US disclosed
CN-112094247-A Cephalosporin drug intermediate and synthesis method thereof 宁夏农林科学院农业资源与环境研究所(宁夏土壤与植物营养重点实验室) 2020-12-18 CN disclosed
US-RE45183-E1 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2014-10-07 US disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-8263634-B2 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2012-09-11 US disclosed
CN-102516240-A Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK AS 2012-06-27 CN disclosed
EP-2444397-A1 Heteroaryl-ureas and their use as glucokinase activators Novo Nordisk A/S (DK) 2012-04-25 EP disclosed
US-8148412-B2 e.g. {-[3-Cyclopentyl-2-(4-methane sulfonyl-phenyl)-propionylamino]-5-methyl-thiazol-4-yl}-acetic acid ethyl ester; antidiabetic and hypoglycemic agent; non-insulin dependent diabetis, obesity, impaired glucose tolerance, eating disorder, dyslipidemia, hyperlipidemia, hypertension NOVO NORDISK A/S (DK) 2012-04-03 US disclosed
CN-1910166-B Heteroaryl ureas and their use as glucokinase activators NOVO NORDISK AS 2012-01-04 CN disclosed
US-7598391-B2 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2009-10-06 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090216013-A1 e.g.1,1-Dicyclohexyl-3-[5-(pyridin-2-ylsulfanyl)-thiazol-2-yl]-urea; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes NOVO NORDISK A/S (DK) 2009-08-27 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
US-20080139562-A1 Heteroaromatic Glucokinase Activators NOVO NORDISK A/S (DK) 2008-06-12 US disclosed
EP-1824835-A1 HETEROAROMATIC GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-08-29 EP disclosed
US-20070054897-A1 1,1-Dicyclohexyl-3-thiazol-2-yl-urea, 3-(5-Chloro-thiazol-2-yl)-1,1-dicyclohexyl-urea, for example; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes NOVO NORDISK A/S (DK) 2007-03-08 US disclosed
EP-1723128-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2006-11-22 EP disclosed
WO-2006058923-A1 HETEROAROMATIC GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2006-06-08 WO disclosed
WO-2005066145-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-07-21 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 (6 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-20080139562-A1 Heteroaromatic Glucokinase Activators GCK, GCKR, PDXK SMN1; SMN2 4804/4885ALDH1A1 1415/4885CYP1A2 497/4885
US-20230150996-A1 B-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS LBR, MRPL21, MRPL19 SMN1; SMN2 2092/4885ALDH1A1 3531/4885CYP1A2 824/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMN1; SMN2 4/4885ALDH1A1 1930/4885CYP1A2 2850/4885
US-20090216013-A1 e.g.1,1-Dicyclohexyl-3-[5-(pyridin-2-ylsulfanyl)-thiazol-2-yl]-urea; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes GCK, GCKR, HK1 SMN1; SMN2 3139/4885ALDH1A1 895/4885CYP1A2 1473/4885
US-20070054897-A1 1,1-Dicyclohexyl-3-thiazol-2-yl-urea, 3-(5-Chloro-thiazol-2-yl)-1,1-dicyclohexyl-urea, for example; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes GCK, GCKR, HK1 SMN1; SMN2 3504/4885ALDH1A1 520/4885CYP1A2 1856/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMN1; SMN2 4/4885ALDH1A1 1930/4885CYP1A2 2850/4885

“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.