SCHEMBL4577130

SCHEMBL4577130

O=[C]Cc1ccc(N2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.52
TRIM33 Q9UPN9 1/20 0.52
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CHKA P35790 6/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
LMNA P02545 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CCR6 P51684 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL4577411 0.83 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2CHKALMNA
SCHEMBL4576693 0.81 CHKA (0.47) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11850922 0.81 TRIM24 (0.56) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4576100 0.80 GAA (0.57) ALDH1A1KDM4ESMN1; SMN2ACHELMNA
SCHEMBL8108972 0.80 CHKA (0.46) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4576621 0.79 KDM4E (0.56) ALDH1A1KDM4EMAPT
SCHEMBL11859247 0.79 ALDH1A1 (0.57) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12497577 0.78 CHKA (0.47) ALDH1A1KDM4ESMN1; SMN2CHKABCHE
SCHEMBL4019919 0.76 TRIM24 (0.43) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15551035 0.75 TRIM24 (0.61) TRIM24TRIM33ALDH1A1KDM4ESMN1; 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis NOVARTIS AG (CH) 2008-09-11 US disclosed
EP-1931994-A2 MOLECULAR MARKERS ASSOCIATED WITH BONE METASTASIS Novartis AG (CH) 2008-06-18 EP disclosed
US-20070135448-A1 Use of cathepsin k inhibitors for treating of severe bone loss diseases MISSBACH MARTIN 2007-06-14 US disclosed
WO-2007038397-A2 MOLECULAR MARKERS ASSOCIATED WITH BONE METASTASIS NOVARTIS AG (CH) 2007-04-05 WO disclosed
US-20060281714-A1 Combinations of a cathepsin k inhibitor and a bisphosphonate in the treatment of bone metastasis, tumor growth and tumor-induced bone loss ZIMMERMANN JOHANN 2006-12-14 US disclosed
EP-1423121-B1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2006-11-15 EP disclosed
US-7112589-B2 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases NOVARTIS AG (CH) 2006-09-26 US disclosed
EP-1686995-A1 USE OF CATHEPSIN K INHIBITORS FOR TREATING OF SEVERE BONE LOSS DISEASES Novartis AG (CH) 2006-08-09 EP disclosed
EP-1651238-A1 COMBINATIONS OF A CATHEPSIN K INHIBITOR AND A BISPHOPHONATE IN THE TREATMENT OF BONE METASTASIS, TUMOR GROWTH AND TUMOR-INDUCED BONE LOSS Novartis AG (CH) 2006-05-03 EP disclosed
US-20060074092-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases ALTMANN EVA 2006-04-06 US disclosed
WO-2005049028-A1 USE OF CATHEPSIN K INHIBITORS IN SEVERE BONE LOSS DISEASES NOVARTIS AG (CH) 2005-06-02 WO disclosed
WO-2005014006-A1 COMBINATIONS OF A CATHEPSIN K INHIBITOR AND A BISPHOPHONATE IN THE TREATMENT OF BONE METASTASIS, TUMOR GROWTH AND TUMOR-INDUCED BONE LOSS NOVARTIS AG (CH) 2005-02-17 WO disclosed
US-20040249153-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases NOVARTIS AG (CH) 2004-12-09 US disclosed
EP-1423121-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020278-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2003-03-13 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-20070135448-A1 Use of cathepsin k inhibitors for treating of severe bone loss diseases CTSK, CTSB, CTSZ TRIM24 3157/4885TRIM33 3939/4885ALDH1A1 4770/4885
US-20040249153-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases CTSK, CTSS, CTSZ TRIM24 3897/4885TRIM33 4738/4885ALDH1A1 2591/4885
US-20060281714-A1 Combinations of a cathepsin k inhibitor and a bisphosphonate in the treatment of bone metastasis, tumor growth and tumor-induced bone loss CTSK, CTSB, CTSZ TRIM24 4164/4885TRIM33 3951/4885ALDH1A1 4589/4885
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis BST2, BSG, CD44 TRIM24 775/4885TRIM33 2017/4885ALDH1A1 3291/4885
US-20060074092-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases CTSK, CTSS, CTSZ TRIM24 4150/4885TRIM33 4723/4885ALDH1A1 3065/4885

“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.