SCHEMBL2821137

SCHEMBL2821137

COC(=O)c1cncn1C1c2c(Cl)cccc2C(OC(C)=O)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.39
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 5/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 4/20 0.33
GAA P10253 4/20 0.33
TSHR P16473 3/20 0.33
GLA P06280 3/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP11B1 P15538 1/20 0.32
POLB P06746 1/20 0.32
IDO1 P14902 2/20 0.32
CYP2C9 P11712 3/20 0.31
CYP1A2 P05177 3/20 0.31
CYP2C19 P33261 3/20 0.31
MEN1 O00255 2/20 0.31
CYP3A4 P08684 2/20 0.31

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
SCHEMBL13475621 0.83 CYP11B2 (0.37) CYP11B2ALDH1A1HPGDPOLBIDO1
SCHEMBL3399750 0.79 IDO1 (0.35) CYP11B2MAPK1ALDH1A1HPGDTSHR
SCHEMBL2817705 0.76 CYP11B2 (0.45) CYP11B2MAPK1ALDH1A1KDM4EHPGD
SCHEMBL9494229 0.76 CYP11B2 (0.47) CYP11B2MAPK1ALDH1A1KDM4EHPGD
SCHEMBL9497355 0.76 CYP11B2 (0.42) CYP11B2MAPK1ALDH1A1KDM4EHPGD
SCHEMBL9777311 0.73 CYP11B2 (0.43) CYP11B2MAPK1ALDH1A1HSD17B10TSHR
SCHEMBL2820379 0.72 CYP11B2 (0.54) CYP11B2MAPK1ALDH1A1KDM4EHPGD
SCHEMBL2820370 0.72 CYP11B2 (0.54) CYP11B2MAPK1ALDH1A1KDM4EHPGD
SCHEMBL2820368 0.72 CYP11B2 (0.54) CYP11B2MAPK1ALDH1A1KDM4EHPGD
SCHEMBL9777356 0.72 CYP11B2 (0.48) CYP11B2MAPK1ALDH1A1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 CYP11B2 6/4885MAPK1 977/4885ALDH1A1 289/4885

“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.