SCHEMBL3021832

SCHEMBL3021832

CC(O)(c1cccnc1)C(C)(O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.55
CYP3A4 P08684 3/20 0.55
CYP1A2 P05177 2/20 0.55
LMNA P02545 1/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KCNA5 P22460 3/20 0.52
CYP3A5 P20815 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
KIF11 P52732 1/20 0.47

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
SCHEMBL10044245 0.88 CYP19A1 (0.49) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL2423712 0.86 CYP19A1 (0.55) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL1375896 0.86 CYP19A1 (0.55) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL9547408 0.86 CYP19A1 (0.55) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL29896215 0.86 CYP19A1 (0.55) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL16230653 0.83 CYP19A1 (0.56) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL27924217 0.83 CYP19A1 (0.52) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL27888098 0.83 CYP19A1 (0.52) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL31507922 0.82 KCNA5 (0.47) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL74389 0.81 KIF11 (0.61) CYP19A1CYP3A4CYP1A2LMNACYP11B1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102464610-B Preparation method of metyrapone UNIV PEKING FOUNDER GROUP CO 2014-07-30 CN claimed
US-8735586-B2 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI (FR) 2014-05-27 US claimed
EP-2173721-B1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-28 EP claimed
EP-2173747-B1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-21 EP claimed
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-10-14 US claimed
US-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-08-26 US claimed
EP-2173747-A1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2010-04-14 EP claimed
EP-2173721-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2010-04-14 EP claimed
WO-2009000413-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO claimed
WO-2009000412-A1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI AVENTIS (FR) 2008-12-31 WO claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
US-10053426-B2 Process for the synthesis of metyrapone and alkylated metyrapone analogs ALBEMARLE CORPORATION (US) 2018-08-21 US disclosed
US-20170334854-A1 One-Step Process For The Synthesis Of Alkylated Metyrapone Analogs W. R. GRACE & CO.-CONN. 2017-11-23 US disclosed
US-20170334854-A1 One-Step Process For The Synthesis Of Alkylated Metyrapone Analogs W. R. GRACE & CO.-CONN. 2017-11-23 US disclosed
US-20170334854-A1 One-Step Process For The Synthesis Of Alkylated Metyrapone Analogs W. R. GRACE & CO.-CONN. 2017-11-23 US disclosed
US-20070072096-A1 Negative curable dye-containing composition, color filter, and method of manufacturing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US disclosed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 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 (4 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-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles AZI2, NISCH, UQCRB CYP19A1 521/4885CYP3A4 91/4885CYP1A2 20/4885
US-20170334854-A1 One-Step Process For The Synthesis Of Alkylated Metyrapone Analogs MET, MEP1B, ABL1 CYP19A1 602/4885CYP3A4 11/4885CYP1A2 118/4885
US-10053426-B2 Process for the synthesis of metyrapone and alkylated metyrapone analogs MET, ABL1, CMPK1 CYP19A1 707/4885CYP3A4 18/4885CYP1A2 107/4885
US-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles AZI2, NIT2, NISCH CYP19A1 1130/4885CYP3A4 43/4885CYP1A2 92/4885

“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.