SCHEMBL102602

SCHEMBL102602

O=[N+]([O-])c1ccccc1NCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.77
L3MBTL1 Q9Y468 3/20 0.77
MAPK1 P28482 2/20 0.62
HTR6 P50406 2/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
USP2 O75604 1/20 0.58
HTT P42858 1/20 0.58
RECQL P46063 1/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
LMNA P02545 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KAT2B Q92831 2/20 0.57
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL7164868 0.95 MAPT (0.84) MAPTL3MBTL1MAPK1HTR6MEN1
SCHEMBL7170786 0.90 MAPT (0.68) MAPTL3MBTL1MAPK1HTR6MEN1
SCHEMBL10055047 0.87 MAPT (0.73) MAPTL3MBTL1MAPK1HTR6MEN1
SCHEMBL31325569 0.87 MAPT (0.73) MAPTL3MBTL1MAPK1HTR6MEN1
SCHEMBL13783550 0.87 MAPT (0.73) MAPTL3MBTL1MAPK1HTR6MEN1
SCHEMBL10360050 0.87 MAPT (0.73) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL9138464 0.87 MAPT (0.73) MAPTL3MBTL1MAPK1HTR6MEN1
SCHEMBL95561 0.87 MAPT (1.00) MAPTL3MBTL1MAPK1HTR6MEN1
SCHEMBL1843232 0.86 MAPT (0.68) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL1470938 0.85 KAT2B (0.61) MAPTL3MBTL1MAPK1HTR6MEN1

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 107 patents — showing the first 20. 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
EP-0620809-B1 $g(a)-SUBSTITUTED BENZENEMETHANAMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1997-03-05 EP claimed
US-20240051974-A1 DIRECT REDUCTIVE AMINATIONS WITH MONOTRIFLUOROACETOXY BORANE-AMINES PURDUE RESEARCH FOUNDATION (US) 2024-02-15 US disclosed
US-11568956-B2 Methods for identifying inhibitors of amyloid protein aggregation TREVENTIS CORPORATION (US) 2023-01-31 US disclosed
CN-109071446-B Organic reaction in aqueous solution in the presence of hydroxyalkyl (alkyl) cellulose or alkylcellulose 艾伯维德国有限责任两合公司 2022-06-21 CN disclosed
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2022-04-26 US disclosed
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2022-04-26 US disclosed
CN-111704579-B Benzimidazole compound synthesis method based on iron-catalyzed redox coupling reaction 中国农业大学 2021-12-14 CN disclosed
US-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE AbbVie Deutschland GmbH & Co. KG (DE) 2021-01-21 US disclosed
US-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE AbbVie Deutschland GmbH & Co. KG (DE) 2021-01-21 US disclosed
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
EP-0190817-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-09-05 EP disclosed
US-4857540-A 1-SUBSTITUTED-2-MERCAPTO-(OR AMINOMETHYL-)BENZAMIDAZOLE COMPOUNDS SMITHKLINE BECKMAN CORPORATION (US) 1989-08-15 US disclosed
US-4728741-A DOPAMINE BETA-HYDROXYLASE INHIBITOR SMITHKLINE BECKMAN CORPORATION (US) 1988-03-01 US disclosed
EP-0190817-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1986-08-13 EP disclosed
US-4169721-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1979-10-02 US disclosed
US-4009994-A Process and product of optical brightening with quaternized benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1977-03-01 US disclosed
US-3940417-A Quaternised benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1976-02-24 US disclosed
US-3931215-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 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 (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-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL MAPT 3070/4885L3MBTL1 3610/4885MAPK1 4323/4885
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines HCN2, RAC2, HCN1 MAPT 3456/4885L3MBTL1 4305/4885MAPK1 816/4885
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL MAPT 3070/4885L3MBTL1 3610/4885MAPK1 4323/4885
US-20240051974-A1 DIRECT REDUCTIVE AMINATIONS WITH MONOTRIFLUOROACETOXY BORANE-AMINES MAOB, BCAT2, AADAT MAPT 2339/4885L3MBTL1 3174/4885MAPK1 2071/4885

“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.