SCHEMBL1999472

SCHEMBL1999472

O=[N+]([O-])c1cccc(-c2ccccc2)c1F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
TDP1 Q9NUW8 4/20 0.69
S100A4 P26447 2/20 0.47
PTPRC P08575 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MAOA P21397 1/20 0.44
GPR35 Q9HC97 1/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
MCL1 Q07820 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
Isothiocyanate SCHEMBL29287693 0.91 ALDH1A1 (0.57) ALDH1A1TDP1S100A4PTPRCKMT2A
SCHEMBL26164145 0.86 ALDH1A1 (0.56) ALDH1A1TDP1S100A4PTPRCKMT2A
SCHEMBL29565552 0.86 ALDH1A1 (0.56) ALDH1A1TDP1S100A4PTPRCKMT2A
SCHEMBL11617176 0.85 TDP1 (0.57) ALDH1A1TDP1S100A4PTPRCKMT2A
SCHEMBL14956663 0.83 VCAM1 (0.47) ALDH1A1TDP1S100A4PTPRCKMT2A
SCHEMBL30196067 0.82 ALDH1A1 (1.00) ALDH1A1TDP1S100A4PTPRCKMT2A
Benzene SCHEMBL28038982 0.82 ALDH1A1 (1.00) ALDH1A1TDP1S100A4PTPRCKMT2A
SCHEMBL44392 0.82 ALDH1A1 (1.00) ALDH1A1TDP1S100A4PTPRCKMT2A
SCHEMBL6797781 0.82 TDP1 (0.46) ALDH1A1TDP1S100A4PTPRCKMT2A
SCHEMBL12479506 0.81 TDP1 (0.48) ALDH1A1TDP1S100A4PTPRCKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230200224-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE HAVING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230200224-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE HAVING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
CN-112430225-B Nitrogen-containing compound, electronic component, and electronic device 陕西莱特光电材料股份有限公司 2022-05-17 CN disclosed
WO-2022089428-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE HAVING SAME 陕西莱特光电材料股份有限公司 2022-05-05 WO disclosed
CN-112430225-A Nitrogen-containing compound, electronic component, and electronic device 陕西莱特光电材料股份有限公司 2021-03-02 CN disclosed
US-10400163-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-03 US disclosed
US-10400163-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-03 US disclosed
CN-109705097-A Indazole -3- carboxylic acid amides and its purposes as WNT/ β-CATENIN signal transduction pathway inhibitor 萨穆梅德有限公司 2019-05-03 CN disclosed
CN-104219954-B Benzamide derivatives 翻译基因组学研究院 2017-03-22 CN disclosed
CN-103402996-B Indole compounds or analogues thereof useful for the treatment of age-related macular degeneration (AMD) NOVARTIS AG 2015-02-11 CN disclosed
US-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
US-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
US-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
EP-2029596-A2 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZOTHIAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2009-03-04 EP disclosed
WO-2007135294-A2 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZOTHIAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2007-11-29 WO disclosed
WO-2007135294-A2 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZOTHIAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2007-11-29 WO disclosed
US-5362747-A Promoters, inhibitors ABBOTT LABORATORIES (US) 1994-11-08 US disclosed
WO-1994012163-A1 2-NITROARYL AND 2-CYANOARYL COMPOUNDS AS REGULATORS OF NITRIC OXIDE SYNTHASE ABBOTT LABORATORIES (US) 1994-06-09 WO disclosed
US-4721790-A Nucleophilic substitution process for fluoronitroaralkyloxazoline ETHYL CORPORATION (US) 1988-01-26 US disclosed
US-4540795-A Fluoronitroaralkyloxazolines, derivatives thereof, and nucleophilic substitution processes for preparing them ETHYL CORPORATION (US) 1985-09-10 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 (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-10400163-B2 Organic electroluminescent materials and devices INTS9, SRSF9, PRMT9 ALDH1A1 2082/4885TDP1 4062/4885S100A4 758/4885
US-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF TPH2, CYP4B1, HTR3C ALDH1A1 297/4885TDP1 2246/4885S100A4 3808/4885
US-20230200224-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE HAVING SAME MNS1, NPM1, NOM1 ALDH1A1 2799/4885TDP1 2031/4885S100A4 185/4885

“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.