SCHEMBL730213

SCHEMBL730213

CCNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
ALDH1A1 P00352 4/20 0.61
ALOX12 P18054 2/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
POLB P06746 2/20 0.57
DDX3X O00571 1/20 0.57
HTT P42858 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
TSHR P16473 2/20 0.55
LMNA P02545 1/20 0.55
ACHE P22303 1/20 0.52
BLM P54132 1/20 0.51

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
SCHEMBL5880840 0.86 ALDH1A1 (0.56) MAPTALDH1A1ALOX12HPGDSMN1; SMN2
SCHEMBL28211599 0.86 MAPT (0.57) MAPTALDH1A1ALOX12HPGDSMN1; SMN2
SCHEMBL29689011 0.85 KMT2A (0.61) MAPTALDH1A1ALOX12HPGDSMN1; SMN2
SCHEMBL2010242 0.83 MAPT (0.56) MAPTALDH1A1ALOX12HPGDSMN1; SMN2
SCHEMBL27625427 0.83 MAPT (0.58) MAPTALDH1A1ALOX12HPGDSMN1; SMN2
SCHEMBL11118915 0.83 SMN1; SMN2 (0.55) MAPTALDH1A1ALOX12HPGDSMN1; SMN2
SCHEMBL4611265 0.82 ALDH1A1 (0.52) MAPTALDH1A1ALOX12HPGDSMN1; SMN2
SCHEMBL28807504 0.82 MAPT (0.62) MAPTALDH1A1ALOX12HPGDSMN1; SMN2
SCHEMBL868793 0.81 KMT2A (0.55) MAPTALDH1A1ALOX12HPGDSMN1; SMN2
SCHEMBL12932901 0.81 KMT2A (0.56) MAPTALDH1A1ALOX12HPGDSMN1; 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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430967-A High-dispersity permanent orange RN and preparation method and application thereof 济宁阳光化学有限公司 2024-01-23 CN claimed
CN-1310870-C Enantiomerically enriched 1-phenylethylamines BAYER CHEMICALS AG (DE) 2007-04-18 CN claimed
CN-1603302-A Enantiomerically enriched 1-phenylethylamines BAYER CHEMICALS AG (DE) 2005-04-06 CN claimed
EP-0330172-B1 Improved process for trans-6-[2-(substituted-pyrol-1-yl)alkyl]pyran-2-one inhibitors of cholesterol synthesis WARNER LAMBERT CO (US) 1994-08-10 EP claimed
EP-0600045-A1 HAIR DYE. WELLA AG (DE) 1994-06-08 EP claimed
WO-1993025182-A1 HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 1993-12-23 WO claimed
CN-117430967-A High-dispersity permanent orange RN and preparation method and application thereof 济宁阳光化学有限公司 2024-01-23 CN disclosed
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2021-01-28 US disclosed
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-11-17 US disclosed
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2020-05-28 US disclosed
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-03-17 US disclosed
US-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-10-03 US disclosed
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2019-07-23 US disclosed
US-5260431-A Nitroanilinesulfonic acids and the preparation of phenylenediaminesulfonic acids BASF AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed
US-5214207-A Intermediates for reactive dyes BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
EP-0515844-A1 Phenylazo- or naphthylazobenzenes with several reactive groups BASF Aktiengesellschaft (DE) 1992-12-02 EP disclosed
US-5091516-A PHENYL- OR NAPHTHYLAZOBENZENES WITH MULTIPLE REACTIVE GROUPS AND INTERMEDIATES THEREFOR BASF AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
EP-0437699-A1 Phenylazo- or naphthylazobenzene with several reactive groups as well as their intermediate products BASF Aktiengesellschaft (DE) 1991-07-24 EP disclosed
EP-0413230-A1 Nitroaniline sulphonic acids and process for preparing phenylenediamino sulphonic acids BASF Aktiengesellschaft (DE) 1991-02-20 EP disclosed
EP-0319817-A2 Phenylamino- and phenylaminomethyl pyridines, and hair-dyeing products containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1989-06-14 EP 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 (6 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-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B MAPT 2174/4885ALDH1A1 1263/4885ALOX12 3223/4885
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A MAPT 2076/4885ALDH1A1 1282/4885ALOX12 3576/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B MAPT 2474/4885ALDH1A1 1382/4885ALOX12 2265/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B MAPT 2174/4885ALDH1A1 1263/4885ALOX12 3223/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B MAPT 2174/4885ALDH1A1 1263/4885ALOX12 3223/4885
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A MAPT 1889/4885ALDH1A1 1297/4885ALOX12 3493/4885

“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.