SCHEMBL3572830

SCHEMBL3572830

CC(C(=O)Oc1ccccc1)n1cncc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABRA1 P14867 5/20 0.41
GABRB2 P47870 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABCB11 O95342 1/20 0.41
GABRA2 P47869 1/20 0.41
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ELANE P08246 1/20 0.38
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3568129 0.84 CYP11B1 (0.45) ALDH1A1CYP11B1CYP11B2MAPT
SCHEMBL13160968 0.74 MAPK1 (0.48) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL24966825 0.73 ALDH1A1 (0.59) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL3568945 0.71 ALDH1A1 (0.46) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL2053915 0.69 CYP11B1 (0.35) ALDH1A1TDP1CYP11B1CYP11B2MAPK1
Hydrochloric Acid SCHEMBL14740706 0.68 CYP11B1 (0.34) ALDH1A1TDP1CYP11B1CYP11B2MAPK1
SCHEMBL8958945 0.67 ELANE (0.50) ALDH1A1TDP1CYP1A2LMNAATM
Acetaldehyde SCHEMBL21059045 0.67 ELANE (0.64) ALDH1A1TDP1LMNAATML3MBTL1
SCHEMBL3735694 0.66 POLB (0.35) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL2459478 0.66 ELANE (0.56) ALDH1A1TDP1LMNAATML3MBTL1

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 ALDH1A1 178/4885TDP1 2831/4885GABRA1 2590/4885

“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.