SCHEMBL3629428

SCHEMBL3629428

O=C(O)Cn1cncc1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.40
CSNK2A1 P68400 2/20 0.40
ALDH1A1 P00352 4/20 0.39
PTGS2 P35354 2/20 0.39
STAT3 P40763 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADORA2B P29275 1/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
TBXAS1 P24557 1/20 0.33

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
SCHEMBL13031367 0.78 LMNA (0.43) CSNK2A2CSNK2A1ALDH1A1KDM4ELMNA
SCHEMBL3631560 0.75 CYP11B1 (0.45) CSNK2A2CSNK2A1ALDH1A1PTGS2KDM4E
Hydrochloric Acid SCHEMBL25311465 0.73 CYP11B1 (0.38) CSNK2A2CSNK2A1ALDH1A1PTGS2KDM4E
SCHEMBL6802916 0.73 HDAC6 (0.39) CSNK2A2CSNK2A1ALDH1A1PTGS2KDM4E
SCHEMBL5324373 0.72 CYP11B1 (0.60) ALDH1A1PTGS2KDM4ELMNAKMT2A
SCHEMBL21339995 0.70 HDAC6 (0.56) CSNK2A2CSNK2A1ALDH1A1PTGS2KDM4E
Trifluoroacetic Acid SCHEMBL3586174 0.70 LMNA (0.37) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL4539265 0.68 ALDH1A1 (0.54) CSNK2A2CSNK2A1ALDH1A1PTGS2KDM4E
SCHEMBL8327433 0.68 CSNK2A2 (0.41) CSNK2A2CSNK2A1ALDH1A1PTGS2KDM4E
SCHEMBL27633360 0.67 ADORA2B (0.46) ALDH1A1KDM4ETDP1ADORA2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 US disclosed
EP-1537114-B8 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2007-10-03 EP disclosed
EP-1537114-B1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2006-08-09 EP disclosed
US-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2006-07-27 US disclosed
EP-1537114-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS Novartis AG (CH) 2005-06-08 EP disclosed
WO-2004014914-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2004-02-19 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 (1 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-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions CYP11B1, CYP27A1, CYP17A1 CSNK2A2 2340/4885CSNK2A1 1808/4885ALDH1A1 178/4885

“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.