4-Nitrocatechol

4-Nitrocatechol

SCHEMBL2977451

O=S(=O)(O)O.O=[N+]([O-])c1ccc(O)c(O)c1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of 4-Nitrocatechol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.60
ALDH1A1 P00352 2/20 0.60
TSHR P16473 2/20 0.60
TP53 P04637 1/20 0.60
HPGD P15428 1/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GAA P10253 1/20 0.58
THRB P10828 1/20 0.58
ERN1 O75460 1/20 0.55
NT5E P21589 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CA2 P00918 2/20 0.48
CA5A P35218 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48

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
4-Nitrocatechol SCHEMBL2977452 1.00 GPR35 (0.60) GPR35ALDH1A1TSHRTP53HPGD
4-Nitrocatechol SCHEMBL156909 0.92 TSHR (0.69) GPR35ALDH1A1TSHRTP53HPGD
4-Nitrocatechol SCHEMBL1608536 0.92 TSHR (0.69) GPR35ALDH1A1TSHRTP53HPGD
4-Nitrocatechol SCHEMBL11765698 0.92 TSHR (0.69) GPR35ALDH1A1TSHRTP53HPGD
4-Nitrocatechol SCHEMBL30262908 0.90 GPR35 (0.58) GPR35ALDH1A1TSHRTP53HPGD
4-Nitrocatechol SCHEMBL28290085 0.90 ALDH1A1 (0.67) GPR35ALDH1A1TSHRTP53HPGD
4-Nitrocatechol SCHEMBL4071135 0.90 ALDH1A1 (0.67) GPR35ALDH1A1TSHRTP53HPGD
Sulfuric Acid SCHEMBL1881177 0.85 GAA (0.65) GPR35ALDH1A1TSHRTP53HPGD
4-Nitrocatechol SCHEMBL28778474 0.84 ALDH1A1 (0.60) GPR35ALDH1A1TSHRTP53HPGD
2-Amino-4-Nitrophenol SCHEMBL3337658 0.83 GAA (0.86) GPR35ALDH1A1TSHRTP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250376712-A1 PAPER-BASED ANALYTICAL DEVICE FOR POTENTIOMETRIC ENZYME DETECTION ABD RABBOH HISHAM S M (SA) 2025-12-11 US claimed
US-20240093166-A1 ENGINEERED ARYL SULFATE-DEPENDENT ENZYMES GINKGO BIOWORKS, INC. 2024-03-21 US claimed
US-20240076634-A1 ENGINEERED ARYL SULFATE-DEPENDENT ENZYMES GINKGO BIOWORKS, INC. 2024-03-07 US claimed
US-20240002819-A1 ENGINEERED ARYL SULFATE-DEPENDENT ENZYMES GINKGO BIOWORKS, INC. 2024-01-04 US claimed
US-20230340552-A1 METHODS FOR SYNTHESIZING ANTICOAGULANT POLYSACCHARIDES GINKGO BIOWORKS, INC. 2023-10-26 US claimed
US-11773382-B2 Engineered aryl sulfate-dependent enzymes OPTIMVIA, LLC (US) 2023-10-03 US claimed
US-11767518-B2 Engineered aryl sulfate-dependent enzymes OPTIMVIA, LLC (US) 2023-09-26 US claimed
US-11708567-B2 Engineered aryl sulfate-dependent enzymes OPTIMVIA, LLC (US) 2023-07-25 US claimed
US-11708593-B2 Engineered aryl sulfate-dependent enzymes OPTIMVIA, LLC (US) 2023-07-25 US claimed
US-20230151339-A1 ENGINEERED ARYL SULFATE-DEPENDENT ENZYMES GINKGO BIOWORKS, INC. 2023-05-18 US claimed
US-20220010344-A1 METHODS FOR SYNTHESIZING ANTICOAGULANT POLYSACCHARIDES GINKGO BIOWORKS, INC. 2022-01-13 US claimed
US-20210363503-A1 ENGINEERED ARYL SULFATE-DEPENDENT ENZYMES OPTIMVIA LLC (US) 2021-11-25 US claimed
US-20210363504-A1 ENGINEERED ARYL SULFATE-DEPENDENT ENZYMES GINKGO BIOWORKS, INC. 2021-11-25 US claimed
US-20210363505-A1 ENGINEERED ARYL SULFATE-DEPENDENT ENZYMES GINKGO BIOWORKS, INC. 2021-11-25 US claimed
EP-3911737-A1 ENGINEERED ARYL SULFATE-DEPENDENT ENZYMES Optimvia, LLC (US) 2021-11-24 EP claimed
CN-113646427-A Engineered arylsulfate-dependent enzymes 奥普蒂姆维亚有限公司 2021-11-12 CN claimed
WO-2021007429-A1 METHODS FOR SYNTHESIZING ANTICOAGULANT POLYSACCHARIDES OPTIMVIA LLC (US) 2021-01-14 WO claimed
WO-2020150350-A1 ENGINEERED ARYL SULFATE-DEPENDENT ENZYMES OPTIMVIA, LLC (US) 2020-07-23 WO claimed
EP-2137204-A1 USE OF SUBSTRATES AS PHARMACOLOGICAL CHAPERONES Amicus Therapeutics, Inc. (US) 2009-12-30 EP claimed
WO-2008128089-A1 USE OF SUBSTRATES AS PHARMACOLOGICAL CHAPERONES AMICUS THERAPEUTICS, INC. (US) 2008-10-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20220010344-A1 METHODS FOR SYNTHESIZING ANTICOAGULANT POLYSACCHARIDES CSGALNACT1, NANS, STS GPR35 2770/4885ALDH1A1 1281/4885TSHR 2026/4885
US-20230340552-A1 METHODS FOR SYNTHESIZING ANTICOAGULANT POLYSACCHARIDES CSGALNACT1, NANS, STS GPR35 2881/4885ALDH1A1 1300/4885TSHR 2029/4885

“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.