SCHEMBL3454772

SCHEMBL3454772

Nc1ccc(-c2nc3cc(C(=O)NCC4CCCCC4)ccc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 3/20 0.59
CHEK2 O96017 4/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ITK Q08881 1/20 0.46
CA2 P00918 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
HDAC6 Q9UBN7 2/20 0.43
MLYCD O95822 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KIT P10721 1/20 0.43
MAPK14 Q16539 1/20 0.42

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
SCHEMBL5967697 0.92 CHEK2 (0.61) PRSS12CHEK2MEN1KMT2AKDM4E
SCHEMBL5223779 0.84 PRSS12 (0.58) PRSS12CHEK2MEN1KMT2AMAPT
SCHEMBL3456813 0.81 KDM4E (0.52) PRSS12MEN1KMT2AITKCA2
SCHEMBL27005903 0.81 ATR (0.53) CHEK2MEN1KMT2AKDM4EALDH1A1
SCHEMBL3456940 0.80 ITK (0.49) PRSS12MEN1KMT2AITKCA2
SCHEMBL27203247 0.79 KDM4E (0.51) PRSS12MEN1KMT2AITKCA2
SCHEMBL4910718 0.78 ITK (0.70) PRSS12ITK
SCHEMBL21017872 0.78 RHEB (0.58) PRSS12CHEK2HDAC6MAPK14
SCHEMBL14381762 0.77 PRSS12 (0.64) PRSS12CHEK2HPGDSMN1; SMN2
SCHEMBL14381814 0.77 PRSS12 (0.64) PRSS12CHEK2HPGDSMN1; SMN2

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 21 patents — showing the first 20. 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-20080108598-A1 Pharmaceutical use of substituted amides NOVO NORDISK A/S (DK) 2008-05-08 US claimed
US-20060111366-A1 Pharmaceutical use of substituted amides NOVO NORDISK A/S (DK) 2006-05-25 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-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-1615698-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2006-01-18 EP claimed
WO-2004089470-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
EP-2239012-A2 Pharmaceutical use of substituted amides High Point Pharmaceuticals, LLC (US) 2010-10-13 EP disclosed
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-20090264414-A1 Amide Derivatives and Pharmaceutical Use Thereof 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
US-20080108598-A1 Pharmaceutical use of substituted amides NOVO NORDISK A/S (DK) 2008-05-08 US 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-20060111366-A1 Pharmaceutical use of substituted amides NOVO NORDISK A/S (DK) 2006-05-25 US 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-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-1615698-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2006-01-18 EP disclosed
WO-2004089470-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 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 (7 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-20080108598-A1 Pharmaceutical use of substituted amides HSD11B1, HSD3B1, HSD11B2 PRSS12 1373/4885CHEK2 4761/4885MEN1 2380/4885
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 PRSS12 1138/4885CHEK2 3653/4885MEN1 2970/4885
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 PRSS12 439/4885CHEK2 4163/4885MEN1 1615/4885
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 PRSS12 439/4885CHEK2 4163/4885MEN1 1615/4885
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 PRSS12 1138/4885CHEK2 3653/4885MEN1 2970/4885
US-20090264414-A1 Amide Derivatives and Pharmaceutical Use Thereof HSD11B1, HSD11B2, HSD3B1 PRSS12 1851/4885CHEK2 4672/4885MEN1 2564/4885
US-20060111366-A1 Pharmaceutical use of substituted amides HSD11B1, HSD3B1, HSD11B2 PRSS12 1373/4885CHEK2 4761/4885MEN1 2380/4885

“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.