SCHEMBL4207307

SCHEMBL4207307

CCn1c(SCc2ccccc2[N+](=O)[O-])nnc1-c1snnc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 7/20 0.46
MAPT P10636 3/20 0.46
CYP3A4 P08684 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
METAP2 P50579 1/20 0.45
OPRK1 P41145 2/20 0.42
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 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
SCHEMBL4206488 0.85 ALDH1A1 (0.59) CYP1A2CYP2C19NPC1ALDH1A1MAPT
SCHEMBL4215059 0.83 L3MBTL1 (0.57) RAB9ACYP1A2CYP2C19NPC1ALDH1A1
SCHEMBL4211994 0.82 ALDH1A1 (0.60) RAB9ACYP1A2CYP2C19NPC1ALDH1A1
SCHEMBL4213672 0.79 RAB9A (0.78) RAB9ACYP1A2CYP2C19NPC1ALDH1A1
SCHEMBL4206218 0.78 CYP1A2 (0.52) RAB9ACYP1A2CYP2C19NPC1ALDH1A1
SCHEMBL4210501 0.78 RAB9A (0.54) RAB9ACYP1A2CYP2C19NPC1ALDH1A1
SCHEMBL4208733 0.78 RAB9A (0.48) RAB9ACYP1A2CYP2C19NPC1ALDH1A1
SCHEMBL4198041 0.78 ALDH1A1 (0.51) CYP1A2CYP2C19NPC1ALDH1A1MAPT
SCHEMBL4208262 0.77 CYP3A4 (0.55) RAB9ACYP1A2CYP2C19NPC1ALDH1A1
SCHEMBL4210299 0.77 CYP1A2 (0.41) RAB9ACYP1A2CYP2C19NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264412-A1 Combination Therapy Using An 11beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor And A Glucocorticoid Receptor Agonist To Minimize The Side Effects Associated With Glucocorticoid Receptor Agonist Therapy HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US claimed
US-20090137574-A1 Combination Therapy Using an 11Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor and an Antihypertensive Agent for the Treatment of Metabolic Syndrome and Related Diseases and Disorders NOVO NORDISK A/S (DK) 2009-05-28 US claimed
US-20060111348-A1 Combination therapy using an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor and an antihypertensive agent for the treatment of metabolic syndrome and related diseases and disorders NOVO NORDISK A/S (DK) 2006-05-25 US claimed
US-20060100235-A1 Pharmaceutical use of substituted 1,2,4-triazoles NOVO NORDISK A/S (DK) 2006-05-11 US claimed
US-20060094699-A1 Combination therapy using an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor and a glucocorticoid receptor agonist to minimize the side effects associated with glucocorticoid receptor agonist therapy HIGH POINT PHARMACEUTICALS, LLC 2006-05-04 US claimed
EP-1615666-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2006-01-18 EP claimed
EP-1615637-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2006-01-18 EP claimed
WO-2004089367-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004089416-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
US-20090264412-A1 Combination Therapy Using An 11beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor And A Glucocorticoid Receptor Agonist To Minimize The Side Effects Associated With Glucocorticoid Receptor Agonist Therapy HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
US-20090137574-A1 Combination Therapy Using an 11Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor and an Antihypertensive Agent for the Treatment of Metabolic Syndrome and Related Diseases and Disorders NOVO NORDISK A/S (DK) 2009-05-28 US disclosed
US-7501405-B2 Combination therapy using an 11β-hydroxysteroid dehydrogenase type 1 inhibitor and an antihypertensive agent for the treatment of metabolic syndrome and related diseases and disorders HIGH POINT PHARMACEUTICALS, LLC (US) 2009-03-10 US disclosed
EP-1862181-A2 Combination therapy using an 11B-hydroxysteroid dehydrogenase type 1 inhibitor and an antihypertensive agent for the treatment of metabolic syndrome and related diseases and disorders NOVO NORDISK A/S (DK) 2007-12-05 EP disclosed
EP-1854487-A2 Combinations of an 11-beta-hydroxysteroid dehaydrogenase type 1 inhibitor and a glucocorticoid receptor agonist Novo Nordisk A/S (DK) 2007-11-14 EP disclosed
US-20060111348-A1 Combination therapy using an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor and an antihypertensive agent for the treatment of metabolic syndrome and related diseases and disorders NOVO NORDISK A/S (DK) 2006-05-25 US disclosed
US-20060100235-A1 Pharmaceutical use of substituted 1,2,4-triazoles NOVO NORDISK A/S (DK) 2006-05-11 US disclosed
US-20060094699-A1 Combination therapy using an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor and a glucocorticoid receptor agonist to minimize the side effects associated with glucocorticoid receptor agonist therapy HIGH POINT PHARMACEUTICALS, LLC 2006-05-04 US disclosed
EP-1615667-A2 COMBINATIONS OF AN 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2006-01-18 EP disclosed
WO-2004089415-A2 COMBINATIONS OF AN 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2004-10-21 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 (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-20060094699-A1 Combination therapy using an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor and a glucocorticoid receptor agonist to minimize the side effects associated with glucocorticoid receptor agonist therapy HSD11B1, HSD17B1, NR3C1 RAB9A 3550/4885CYP1A2 225/4885CYP2C19 493/4885
US-20090137574-A1 Combination Therapy Using an 11Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor and an Antihypertensive Agent for the Treatment of Metabolic Syndrome and Related Diseases and Disorders HSD11B1, HSD11B2, HSD17B1 RAB9A 2668/4885CYP1A2 235/4885CYP2C19 266/4885
US-20060111348-A1 Combination therapy using an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor and an antihypertensive agent for the treatment of metabolic syndrome and related diseases and disorders HSD11B1, HSD11B2, HSD17B1 RAB9A 2668/4885CYP1A2 235/4885CYP2C19 266/4885
US-20090264412-A1 Combination Therapy Using An 11beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor And A Glucocorticoid Receptor Agonist To Minimize The Side Effects Associated With Glucocorticoid Receptor Agonist Therapy HSD11B1, HSD17B1, NR3C1 RAB9A 3550/4885CYP1A2 225/4885CYP2C19 493/4885
US-20060100235-A1 Pharmaceutical use of substituted 1,2,4-triazoles HSD3B1, HSD11B1, HSD3B2 RAB9A 3808/4885CYP1A2 51/4885CYP2C19 54/4885

“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.