SCHEMBL730858

SCHEMBL730858

O=[N+]([O-])c1ccc(C2COCc3cncn32)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.39
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 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
SCHEMBL761642 0.76 CYP19A1 (0.43) CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL731920 0.66 CYP11B2 (0.46) CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL730400 0.66 CYP11B2 (0.43) CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL12478712 0.63 AKR1C3 (0.45) ALDH1A1MAPTKMT2ASMN1; SMN2
Nitric Acid SCHEMBL9845213 0.62 CYP19A1 (0.81) CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL1582559 0.62 TSHR (0.46) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL1022578 0.62 TSHR (0.46) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL1583098 0.62 TSHR (0.46) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL7772876 0.62 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL18596340 0.62 SLC18A3 (0.43) ALDH1A1MAPTPOLBHTTSMN1; SMN2

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 14 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-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-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
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-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
US-20090192144-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
WO-2007116101-A1 IMIDAZO COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-10-18 WO disclosed
WO-2007116099-A1 IMIDAZO COMPOUNDS 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 (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 CYP19A1 1/4885CYP11B1 4/4885CYP11B2 2/4885
US-20090192144-A1 Imidazo Compounds REN, CYP11B2, CYP11B1 CYP19A1 70/4885CYP11B1 3/4885CYP11B2 2/4885
US-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 CYP19A1 84/4885CYP11B1 3/4885CYP11B2 2/4885

“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.