SCHEMBL1609387

SCHEMBL1609387

CCc1cc(C(=O)Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.54
KMT2A Q03164 4/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 5/20 0.49
TSHR P16473 3/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.46
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.45
VCAM1 P19320 1/20 0.44
HCAR3 P49019 4/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL8099992 0.89 PDK1 (0.47) PDK1KMT2AATMALDH1A1TSHR
SCHEMBL9503759 0.87 PDK1 (0.70) PDK1KMT2AALDH1A1TSHRCASP6
SCHEMBL8095948 0.86 PDK1 (0.45) PDK1KMT2AATMALDH1A1TSHR
SCHEMBL8095194 0.85 HCAR3 (0.45) PDK1KMT2AATMALDH1A1TSHR
SCHEMBL1609806 0.85 CASP6 (0.66) KMT2ATSHRPOLBCASP6HCAR3
SCHEMBL12775960 0.85 KMT2A (0.60) PDK1KMT2AATMALDH1A1TSHR
SCHEMBL8086985 0.84 HCAR3 (0.44) PDK1KMT2AATMALDH1A1TSHR
SCHEMBL8086305 0.84 HCAR3 (0.44) PDK1KMT2AATMALDH1A1TSHR
SCHEMBL8095881 0.84 HCAR3 (0.44) PDK1KMT2AATMALDH1A1TSHR
SCHEMBL8096019 0.83 PDK1 (0.50) PDK1KMT2AATMALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087013-A1 Friedel-Crafts acylation for the synthesis of aryl- and heteroaryl-(3-ethyl-4-nitrophenyl)-methanones ROCHE NIMBLEGEN, INC. 2011-04-14 US claimed
CN-114945636-B Azo compound or salt thereof, polarizing film, polarizing plate, and display device 日本化药株式会社 2024-07-12 CN disclosed
CN-116261924-A Polarizing element, polarizing plate, and display device provided with same 日本化药株式会社 2023-06-13 CN disclosed
CN-114945636-A Azo compound or salt thereof, and dye-based polarizing film, dye-based polarizing plate, and display device containing the same 日本化药株式会社 2022-08-26 CN disclosed
CN-111433290-B Azo compound or salt thereof, and polarizing element, polarizing plate and display device each comprising the same 日本化药株式会社 2022-06-14 CN disclosed
WO-2022071201-A1 POLARIZING ELEMENT, POLARIZING PLATE, AND DISPLAY DEVICE PROVIDED WITH SAME 日本化薬株式会社 2022-04-07 WO disclosed
CN-113795554-A Achromatic polarizing element, and achromatic polarizing plate and display device using same 日本化药株式会社 2021-12-14 CN disclosed
WO-2021153374-A1 AZO COMPOUND OR SALT THEREOF, AND DYE-BASED POLARIZING FILM, DYE-BASED POLARIZING PLATE AND DISPLAY DEVICE EACH CONTAINING SAME 日本化薬株式会社 2021-08-05 WO disclosed
WO-2020230647-A1 ACHROMATIC POLARIZER, ACHROMATIC POLARIZING PLATE USING SAME, AND DISPLAY DEVICE 日本化薬株式会社 2020-11-19 WO disclosed
CN-111433290-A Azo compound or salt thereof, and polarizing element, polarizing plate and display device each containing the same 日本化药株式会社 2020-07-17 CN disclosed
EP-2311792-A1 Friedel-Crafts acylation for synthesis of aryl and heteroaryl-(3-ethyl-4-nitro-phenyl)-methanones Roche Diagnostics GmbH (DE) 2011-04-20 EP disclosed
US-20110087013-A1 Friedel-Crafts acylation for the synthesis of aryl- and heteroaryl-(3-ethyl-4-nitrophenyl)-methanones ROCHE NIMBLEGEN, INC. 2011-04-14 US disclosed
US-20110087013-A1 Friedel-Crafts acylation for the synthesis of aryl- and heteroaryl-(3-ethyl-4-nitrophenyl)-methanones ROCHE NIMBLEGEN, INC. 2011-04-14 US disclosed
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0601813-B1 Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORP (JP) 1997-08-13 EP disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed
US-5501884-A Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1996-03-26 US disclosed
US-5382688-A Diamino compounds and their production method CHISSO CORPORATION (JP) 1995-01-17 US disclosed
EP-0601813-A1 Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1994-06-15 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 (1 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-20110087013-A1 Friedel-Crafts acylation for the synthesis of aryl- and heteroaryl-(3-ethyl-4-nitrophenyl)-methanones CYP2B6, HNF4A, AHR PDK1 1316/4885KMT2A 921/4885ATM 966/4885

“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.