SCHEMBL2910903

SCHEMBL2910903

N#Cc1ccc(C(SCC(=O)O)c2c[nH]cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
STK17B O94768 1/20 0.35
MAP3K8 P41279 1/20 0.35
MMP2 P08253 1/20 0.35
CYP19A1 P11511 5/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
GRK6 P43250 1/20 0.32
EPHX2 P34913 1/20 0.32
EEF2K O00418 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL2917019 0.80 PTGES (0.35) HTTGAAKDM4EMAPTL3MBTL1
SCHEMBL2910386 0.74 TOP2A (0.37) CYP19A1
SCHEMBL5891827 0.69 CYP19A1 (0.36) CYP19A1
SCHEMBL9090439 0.69 CYP19A1 (0.55) CYP19A1MMP12MMP13
SCHEMBL9090407 0.68 CYP19A1 (0.62) CYP19A1
SCHEMBL9089515 0.65 CYP19A1 (0.64) CYP19A1EPHX2
SCHEMBL9092376 0.65 CYP19A1 (0.55) CYP19A1EPHX2
SCHEMBL9016828 0.63 SLC6A3 (0.51) GAAMAPT
SCHEMBL9092229 0.63 CYP19A1 (0.56) CYP19A1EPHX2
SCHEMBL2577670 0.63 SLC6A3 (0.65)

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-8076327-B2 Condensed imidazole derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-13 US disclosed
US-20100305110-A1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-12-02 US disclosed
US-7799780-B2 Condensed imidazole derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-09-21 US disclosed
EP-2004657-B1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-09-01 EP disclosed
US-20090012068-A1 Condensed Imidazole Derivatives as Aldosterone Synthase Inhibitors NOVARTIS AG (CH) 2009-01-08 US disclosed
EP-2004657-A1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Speedel Experimenta AG (CH) 2008-12-24 EP disclosed
WO-2007116097-A1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2007-10-18 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 (2 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-20090012068-A1 Condensed Imidazole Derivatives as Aldosterone Synthase Inhibitors CYP11B1, CYP11B2, REN HTT 4809/4885GAA 2513/4885KDM4E 3544/4885
US-20100305110-A1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP11B2, REN HTT 4813/4885GAA 2535/4885KDM4E 3583/4885

“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.