SCHEMBL2858672

SCHEMBL2858672

Clc1ccc(-c2nnc3n2CCCCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 1.00
HTT P42858 2/20 1.00
ALDH1A1 P00352 3/20 0.71
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
KDM4E B2RXH2 4/20 0.62
NPSR1 Q6W5P4 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.59
HSD11B1 P28845 4/20 0.57
HSD11B2 P80365 1/20 0.56
NR1I2 O75469 1/20 0.56
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL2851419 0.85 HPGD (1.00) HPGDHTTALDH1A1KMT2AMEN1
SCHEMBL2855635 0.83 HPGD (1.00) HPGDHTTALDH1A1KMT2AMEN1
SCHEMBL2854296 0.83 HPGD (0.96) HPGDHTTALDH1A1KMT2AMEN1
SCHEMBL2851372 0.83 HPGD (0.97) HPGDHTTALDH1A1KMT2AMEN1
SCHEMBL2851403 0.81 HPGD (0.68) HPGDHTTALDH1A1KMT2AMEN1
SCHEMBL2849299 0.81 HPGD (0.70) HPGDHTTALDH1A1KMT2AMEN1
SCHEMBL2849468 0.81 HPGD (0.71) HPGDHTTALDH1A1KMT2AMEN1
SCHEMBL14153756 0.81 HPGD (0.97) HPGDHTTALDH1A1KMT2AMEN1
SCHEMBL14353248 0.81 HPGD (1.00) HPGDHTTALDH1A1KMT2AMEN1
SCHEMBL14153755 0.80 HPGD (0.69) HPGDHTTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197658-A1 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-05 US claimed
EP-1828179-B1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AGAINST CNS-RELATED DISEASES MEMORY PHARM CORP (US) 2010-01-20 EP claimed
EP-1615647-B1 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES HIGH POINT PHARMACEUTICALS LLC (US) 2010-01-20 EP 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 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-20080153807-A1 Pharmaceutical Use of Fused 1,2,4-Triazoles NOVO NORDISK A/S (DK) 2008-06-26 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-20060106008-A1 Pharmaceutical use of fused 1,2,4-triazoles NOVO NORDISK A/S (DK) 2006-05-18 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-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 claimed
EP-1615647-A2 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2006-01-18 EP 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
WO-2004089380-A2 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
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 claimed
US-20100197658-A1 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-05 US disclosed
US-7723323-B2 Pharmaceutical use of fused 1,2,4-triazoles HIGH POINT PHARMACEUTICALS, LLC (US) 2010-05-25 US disclosed
WO-2004089380-A2 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed
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 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 (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-20060106008-A1 Pharmaceutical use of fused 1,2,4-triazoles HSD3B1, HSD11B1, HSD11B2 HPGD 63/4885HTT 3466/4885ALDH1A1 166/4885
US-20080153807-A1 Pharmaceutical Use of Fused 1,2,4-Triazoles HSD3B1, HSD11B1, HSD11B2 HPGD 63/4885HTT 3466/4885ALDH1A1 166/4885
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 HPGD 119/4885HTT 4448/4885ALDH1A1 253/4885
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 HPGD 84/4885HTT 2515/4885ALDH1A1 74/4885
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 HPGD 84/4885HTT 2515/4885ALDH1A1 74/4885
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 HPGD 119/4885HTT 4448/4885ALDH1A1 253/4885
US-20100197658-A1 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES HSD3B1, HSD11B2, HSD3B2 HPGD 71/4885HTT 3791/4885ALDH1A1 528/4885

“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.