SCHEMBL166053

SCHEMBL166053

O=C(n1ccnn1)n1ccnn1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.32
CYP1A1 P04798 1/20 0.30
CYP19A1 P11511 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
SCHEMBL876240 0.83
SCHEMBL253526 0.83
Ammonia Solution, Strong SCHEMBL6511571 0.81
SCHEMBL6781632 0.81
SCHEMBL7008079 0.81
SCHEMBL446215 0.81
SCHEMBL15384106 0.81 MGLL (0.41)
Hydrochloric Acid SCHEMBL7525413 0.79
SCHEMBL5275916 0.79
Lithium Ion SCHEMBL31020254 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023133876-A1 FLUORINE-FREE CLEANING AGENT, PREPARATION METHOD THEREFOR AND USE THEREOF 嘉庚创新实验室 2023-07-20 WO claimed
EP-2103601-B1 PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION AJINOMOTO KK (JP) 2012-03-14 EP claimed
US-8058432-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of derivatives AJINOMOTO CO., INC. (JP) 2011-11-15 US claimed
US-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US claimed
US-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES AJINOMOTO CO., INC. (JP) 2009-12-24 US claimed
EP-2103601-A1 PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION Ajinomoto Co., Inc. (JP) 2009-09-23 EP claimed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 US claimed
EP-1859783-A1 Brightening and/or colouring agent comprising N, N'-carbonyldiazoles and/or analagogues thereof Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP claimed
EP-1503983-B1 A PROCESS FOR THE PREPARATION OF MODAFINIL DIPHARMA FRANCIS SRL (IT) 2007-06-13 EP claimed
US-7057068-B2 Process for the preparation of modafinil DIPHARMA S.P.A. (IT) 2006-06-06 US claimed
US-20050154063-A1 Process for the preparation of modafinil DIPHARMA S.P.A. (IT) 2005-07-14 US claimed
EP-1503983-A1 A PROCESS FOR THE PREPARATION OF MODAFINIL Dipharma S.p.A. (IT) 2005-02-09 EP claimed
WO-2003095423-A1 A PROCESS FOR THE PREPARATION OF MODAFINIL DIPHARMA S.P.A. (IT) 2003-11-20 WO claimed
EP-0501592-A1 Triheteroarylmethanes, process for their preparation, pharmaceutical compositions containing them and their use for the preparation of medicines SCHERING AKTIENGESELLSCHAFT (DE) 1992-09-02 EP claimed
EP-0265495-A4 BONDED PHASE CHROMATOGRAPHIC SUPPORTS. ANALYTICHEM INT INC (US) 1988-11-23 EP claimed
EP-0265495-A1 BONDED PHASE CHROMATOGRAPHIC SUPPORTS ANALYTICHEM INTERNATIONAL, INC. (US) 1988-05-04 EP claimed
WO-1987006586-A1 BONDED PHASE CHROMATOGRAPHIC SUPPORTS ANALYTICHEM INTERNATIONAL, INC. (US) 1987-11-05 WO claimed
EP-0044979-B1 DERIVATIVES OF 2-FLUORO-ALKANECARBOXYLIC ACIDS, THEIR PREPARATION, HERBICIDES COMPRISING THEM AND THEIR APPLICATION BASF Aktiengesellschaft (DE) 1983-11-02 EP claimed
EP-0044979-A1 Derivatives of 2-fluoro-alkanecarboxylic acids, their preparation, herbicides comprising them and their application BASF Aktiengesellschaft (DE) 1982-02-03 EP claimed
US-4179557-A Acylation of 7-aminocephalosporanic acids PRESIDENT OF OSAKA UNIVERSITY (JP) 1979-12-18 US claimed

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-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 FOLH1 856/4885CYP1A1 3509/4885CYP19A1 3348/4885
US-20050154063-A1 Process for the preparation of modafinil SULT2A1, AADAC, SULT1A1 FOLH1 2855/4885CYP1A1 117/4885CYP19A1 1702/4885
US-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES PAH, DDC, AADAT FOLH1 1266/4885CYP1A1 204/4885CYP19A1 1044/4885

“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.