SCHEMBL689862

SCHEMBL689862

COc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
TDP1 Q9NUW8 4/20 0.54
TSHR P16473 2/20 0.54
GPR35 Q9HC97 1/20 0.47
TPMT P51580 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GLA P06280 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 3/20 0.40
CYP3A4 P08684 2/20 0.40

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
SCHEMBL1599772 0.91 ALDH1A1 (0.54) ALDH1A1TDP1TSHRGPR35TPMT
SCHEMBL13376134 0.90 ALDH1A1 (0.60) ALDH1A1TDP1TSHRGPR35TPMT
SCHEMBL4047397 0.88 ALDH1A1 (0.48) ALDH1A1TDP1TSHRGPR35TPMT
SCHEMBL17653060 0.88 ALDH1A1 (0.48) ALDH1A1TDP1TSHRGPR35TPMT
SCHEMBL689445 0.88 ALDH1A1 (0.48) ALDH1A1TDP1TSHRGPR35TPMT
SCHEMBL16829017 0.88 TPMT (0.59) ALDH1A1TDP1TSHRGPR35TPMT
SCHEMBL1599088 0.88 ALDH1A1 (0.48) ALDH1A1TDP1TSHRGPR35TPMT
SCHEMBL19434530 0.87 GPR35 (0.43) ALDH1A1TDP1TSHRGPR35TPMT
SCHEMBL689488 0.85 ALDH1A1 (0.46) ALDH1A1TDP1TSHRGPR35TPMT
SCHEMBL689056 0.85 ALDH1A1 (0.50) ALDH1A1TDP1TSHRGPR35TPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1733450-B1 REDOX SHUTTLE FOR RECHARGEABLE LITHIUM-ION CELL 3M INNOVATIVE PROPERTIES CO (US) 2010-12-08 EP claimed
US-7811710-B2 Redox shuttle for rechargeable lithium-ion cell 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-10-12 US claimed
EP-1733450-A2 REDOX SHUTTLE FOR RECHARGEABLE LITHIUM-ION CELL 3M Innovative Properties Company (US) 2006-12-20 EP claimed
WO-2005099024-A2 REDOX SHUTTLE FOR RECHARGEABLE LITHIUM-ION CELL 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-10-20 WO claimed
US-20050221196-A1 Redox shuttle for rechargeable lithium-ion cell 3M INNOVATIVE PROPERTIES COMPANY 2005-10-06 US claimed
US-5777168-A Process for producing N-alkyl-dinitroalkylanilines SRM CHEMICAL, LTD. CO. (US) 1998-07-07 US claimed
US-5689006-A Process for producing n-alkyl-dinitroalkylanilines SRM CHEMICAL, LTD. CO. (US) 1997-11-18 US claimed
US-5663441-A Production of mono-N-alkyl-dinitroalkylanilines and N-alkyl-dinitroaniline derivatives SRM CHEMICAL, LTD. CO. (US) 1997-09-02 US claimed
WO-1997001527-A1 PRODUCTION OF MONO-N-ALKYL-DINITROALKYLANILINES AND N-ALKYL-DINITROANILINE DERIVATIVES SYNTECH LTD. CO. (US) 1997-01-16 WO claimed
US-11712680-B2 Process for reducing aromatic nitro compounds with supported catalyst KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2023-08-01 US disclosed
US-20220401927-A1 PROCESS FOR REDUCING AROMATIC NITRO COMPOUNDS WITH SUPPORTED CATALYST KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2022-12-22 US disclosed
US-11452992-B2 Iron oxide supported rhodium catalyst for nitroarene reduction KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2022-09-27 US disclosed
EP-3245557-B1 ELECTROCHROMIC MULTI-LAYER DEVICES WITH CHARGE SEQUESTRATION AND RELATED METHODS KINESTRAL TECH INC (US) 2021-12-15 EP disclosed
EP-2981526-B1 INTERMEDIATES USEFUL IN THE PREPARATION OF NAPHTHYLUREA DERIVATIVES USEFUL AS KINASE INHIBITORS OXULAR ACQUISITIONS LTD (GB) 2021-11-03 EP disclosed
US-5689006-A Process for producing n-alkyl-dinitroalkylanilines SRM CHEMICAL, LTD. CO. (US) 1997-11-18 US disclosed
US-5663441-A Production of mono-N-alkyl-dinitroalkylanilines and N-alkyl-dinitroaniline derivatives SRM CHEMICAL, LTD. CO. (US) 1997-09-02 US disclosed
WO-1997001527-A1 PRODUCTION OF MONO-N-ALKYL-DINITROALKYLANILINES AND N-ALKYL-DINITROANILINE DERIVATIVES SYNTECH LTD. CO. (US) 1997-01-16 WO disclosed
US-4537999-A REACTION OF DINITROANISOLES WITH AN ALCOHOL IN PRESENCE OF AN ALKALINE COMPOUND CHISSO CORPORATION (JP) 1985-08-27 US disclosed
US-4395572-A Process for preparing N-alkyl-nitroanilines UNION CARBIDE CORPORATION (US) 1983-07-26 US disclosed
US-4289907-A Process for preparing N-alkyl-nitroanilines UNION CARBIDE CORPORATION (US) 1981-09-15 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-11712680-B2 Process for reducing aromatic nitro compounds with supported catalyst ARG2, NDUFS5, NDUFS7 ALDH1A1 2712/4885TDP1 2491/4885TSHR 2114/4885
US-20220401927-A1 PROCESS FOR REDUCING AROMATIC NITRO COMPOUNDS WITH SUPPORTED CATALYST ARG2, NDUFS5, NDUFS7 ALDH1A1 2712/4885TDP1 2491/4885TSHR 2114/4885
US-11452992-B2 Iron oxide supported rhodium catalyst for nitroarene reduction ARG2, NOS2, NDUFS7 ALDH1A1 2798/4885TDP1 2889/4885TSHR 831/4885

“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.