SCHEMBL731885

SCHEMBL731885

N#Cc1ccc(C(O)COC(c2c[nH]cn2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.35
MEN1 O00255 8/20 0.34
KMT2A Q03164 3/20 0.34
FAAH O00519 1/20 0.34
CYP19A1 P11511 5/20 0.33
F2R P25116 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HIF1A Q16665 1/20 0.31
IDO1 P14902 1/20 0.31
ACSS2 Q9NR19 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL3120536 0.98 AGER (0.34) AGERMEN1KMT2AFAAHCYP19A1
SCHEMBL730322 0.82
SCHEMBL729770 0.82 MEN1 (0.31) MEN1
SCHEMBL732273 0.80 GSK3B (0.35) MEN1KMT2AMAPT
SCHEMBL5891827 0.77 CYP19A1 (0.36) CYP19A1MAOB
SCHEMBL729979 0.73 PRSS1 (0.31)
SCHEMBL729746 0.73 MEN1 (0.37) MEN1KMT2AKDM4EMAPTHIF1A
SCHEMBL8156300 0.72 CYP19A1 (0.33) MEN1CYP19A1
SCHEMBL8156288 0.72 MAOB (0.39) MAOB
SCHEMBL2910386 0.70 TOP2A (0.37) CYP19A1

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-8138176-B2 Imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20110092492-A1 IMIDAZO COMPOUNDS HEROLD PETER 2011-04-21 US disclosed
US-7879847-B2 such as 4-(5,6-Dihydro-8H-imidazo[5,1-c][1,4]oxazin-5-yl)benzonitrile, having aldosterone synthase and/or 11- beta -hydroxylase inhibitory activity, used for the treatment of hypertension and Cushing's Syndrome NOVARTIS AG (CH) 2011-02-01 US disclosed
EP-2007770-B1 IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2010-09-08 EP disclosed
EP-2007771-B1 IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2010-04-07 EP disclosed
US-20090192149-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
US-20090192144-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US 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 (3 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-20090192149-A1 Imidazo Compounds CYP19A1, CYP11B2, GPER1 AGER 3332/4885MEN1 460/4885KMT2A 1116/4885
US-20090192144-A1 Imidazo Compounds REN, CYP11B2, CYP11B1 AGER 2750/4885MEN1 400/4885KMT2A 3087/4885
US-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 AGER 2834/4885MEN1 295/4885KMT2A 2563/4885

“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.