SCHEMBL3477702

SCHEMBL3477702

O=[N+]([O-])c1ccc(NC2CCCCC2)cc1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.96
POLB P06746 3/20 0.96
LMNA P02545 2/20 0.96
GAA P10253 1/20 0.96
EPHX1 P07099 2/20 0.63
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HTT P42858 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
CTSL P07711 1/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
ALDH1A1 P00352 5/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
MAPK1 P28482 1/20 0.55
BLM P54132 1/20 0.55
RIPK1 Q13546 1/20 0.52
NAMPT P43490 1/20 0.50

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
SCHEMBL16755954 1.00 MAPT (0.96) MAPTPOLBLMNAGAAEPHX1
SCHEMBL3477664 0.98 MAPT (1.00) MAPTPOLBLMNAGAAEPHX1
SCHEMBL29757387 0.95 MAPT (0.93) MAPTPOLBLMNAGAAEPHX1
SCHEMBL7711892 0.91 MAPT (0.86) MAPTPOLBLMNAGAAEPHX1
SCHEMBL5445415 0.88 MAPT (0.81) MAPTPOLBLMNAGAAEPHX1
SCHEMBL2708330 0.83 MAPT (0.73) MAPTPOLBLMNAGAAEPHX1
SCHEMBL4676789 0.83 MAPT (0.73) MAPTPOLBLMNAGAAEPHX1
SCHEMBL4711574 0.83 MAPT (0.73) MAPTPOLBLMNAGAAEPHX1
SCHEMBL4711576 0.83 MAPT (0.73) MAPTPOLBLMNAGAAEPHX1
Hydrochloric Acid SCHEMBL29847576 0.81 MAPT (0.71) MAPTPOLBLMNAGAAEPHX1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US claimed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO claimed
US-20240051974-A1 DIRECT REDUCTIVE AMINATIONS WITH MONOTRIFLUOROACETOXY BORANE-AMINES PURDUE RESEARCH FOUNDATION (US) 2024-02-15 US disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed
WO-2014096732-A1 METAL NANO-CATALYSTS IN GLYCEROL AND APPLICATIONS IN ORGANIC SYNTHESIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2014-06-26 WO disclosed
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US disclosed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO disclosed
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP disclosed
CN-1059668-C Process for preparing N-aliphatic substituted P-phenylenediamines MONSANTO CO (US) 2000-12-20 CN disclosed
EP-0701992-B1 Method of preparation of nitro substituted arylamines BAYER AG (DE) 1999-11-17 EP disclosed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO disclosed
US-5612483-A AMINATION BAYER AKTIENGESELLSCHAFT (DE) 1997-03-18 US disclosed
EP-0641308-B1 PROCESS FOR PREPARING N-ALIPHATIC SUBSTITUTED P-PHENYLENEDIAMINES MONSANTO CO (US) 1997-03-12 EP disclosed
EP-0701992-A1 Method of preparation of nitro substituted arylamines BAYER AG (DE) 1996-03-20 EP disclosed
EP-0641308-A1 PROCESS FOR PREPARING N-ALIPHATIC SUBSTITUTED P-PHENYLENEDIAMINES. MONSANTO CO (US) 1995-03-08 EP disclosed
CN-1098401-A The preparation method of the Ursol D that N-aliphatic series replaces MONSANTO CO (US) 1995-02-08 CN disclosed
WO-1993024443-A1 PROCESS FOR PREPARING N-ALIPHATIC SUBSTITUTED P-PHENYLENEDIAMINES MONSANTO COMPANY (US) 1993-12-09 WO disclosed
US-5252737-A Process for preparing N-aliphatic substituted p-phenylenediamines MONSANTO COMPANY (US) 1993-10-12 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 (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-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines HCN2, RAC2, HCN1 MAPT 3456/4885POLB 2428/4885LMNA 2308/4885
US-20240051974-A1 DIRECT REDUCTIVE AMINATIONS WITH MONOTRIFLUOROACETOXY BORANE-AMINES MAOB, BCAT2, AADAT MAPT 2339/4885POLB 80/4885LMNA 932/4885

“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.