SCHEMBL715239

SCHEMBL715239

Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. 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
THRB known ✓ P10828 1/20 0.50
PDE4A known ✓ P27815 1/20 0.46
PDE4B known ✓ Q07343 1/20 0.46
PDE4D known ✓ Q08499 1/20 0.46
CA2 known ✓ P00918 2/20 0.46
CA12 known ✓ O43570 1/20 0.46
CA1 known ✓ P00915 1/20 0.46
CA4 known ✓ P22748 1/20 0.46
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 4/20 0.52
RAD51 Q06609 1/20 0.51
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
S1PR4 O95977 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
APEX1 P27695 2/20 0.48
HTT P42858 1/20 0.47
ALOX15 P16050 2/20 0.46

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
SCHEMBL29696954 1.00 TDP1 (0.53) TDP1ALDH1A1CYP3A4RAD51GAA
Ammonia Solution, Strong SCHEMBL2315717 0.98 TDP1 (0.52) TDP1ALDH1A1CYP3A4RAD51GAA
SCHEMBL715240 0.84 NT5E (0.57) TDP1ALDH1A1CYP3A4GAATHRB
SCHEMBL30451696 0.83 CA2 (0.57) TDP1ALDH1A1CYP3A4GAATHRB
SCHEMBL392987 0.83 CA2 (0.57) TDP1ALDH1A1CYP3A4GAATHRB
SCHEMBL67062 0.81 NT5E (0.59) TDP1ALDH1A1CYP3A4GAATHRB
SCHEMBL11674536 0.81 TDP1 (0.53) TDP1ALDH1A1CYP3A4GAATHRB
SCHEMBL15976059 0.81 TDP1 (0.53) TDP1ALDH1A1CYP3A4GAATHRB
SCHEMBL315765 0.81 NT5E (0.59) TDP1ALDH1A1CYP3A4GAATHRB
SCHEMBL4622820 0.81 ALDH1A1 (0.56) TDP1ALDH1A1CYP3A4GAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114560848-B Reactive light/sweat resistant composite color fastness improver and preparation method thereof 山东中康国创先进印染技术研究院有限公司 2023-08-18 CN claimed
CN-114560848-A Reactive light/light-perspiration resistant composite color fastness improver and preparation method thereof 山东中康国创先进印染技术研究院有限公司 2022-05-31 CN claimed
CN-113200931-B Reactive light-sweat-resistant composite fastness improver and preparation method thereof 浙江理工大学上虞工业技术研究院有限公司 2022-05-13 CN claimed
CN-113200931-A Reactive light-sweat-resistant composite fastness improver and preparation method thereof 浙江理工大学上虞工业技术研究院有限公司 2021-08-03 CN claimed
US-20240167922-A1 TRANSPARENTIZING REAGENT AND TRANSPARENTIZING METHOD KYOTO UNIVERSITY (JP) 2024-05-23 US disclosed
EP-4306927-A1 TRANSPARENTIZING REAGENT AND TRANSPARENTIZING METHOD Kyoto University (JP) 2024-01-17 EP disclosed
CN-114560848-B Reactive light/sweat resistant composite color fastness improver and preparation method thereof 山东中康国创先进印染技术研究院有限公司 2023-08-18 CN disclosed
CN-114560848-A Reactive light/light-perspiration resistant composite color fastness improver and preparation method thereof 山东中康国创先进印染技术研究院有限公司 2022-05-31 CN disclosed
CN-113200931-B Reactive light-sweat-resistant composite fastness improver and preparation method thereof 浙江理工大学上虞工业技术研究院有限公司 2022-05-13 CN disclosed
CN-113200931-B Reactive light-sweat-resistant composite fastness improver and preparation method thereof 浙江理工大学上虞工业技术研究院有限公司 2022-05-13 CN disclosed
CN-113200931-A Reactive light-sweat-resistant composite fastness improver and preparation method thereof 浙江理工大学上虞工业技术研究院有限公司 2021-08-03 CN disclosed
CN-113200931-A Reactive light-sweat-resistant composite fastness improver and preparation method thereof 浙江理工大学上虞工业技术研究院有限公司 2021-08-03 CN disclosed
WO-2004061530-A1 POLYHYDROXYALKANOATE CONTAINING AMIDE GROUP, SULFONIC GROUP, AND SULFONATE ESTER GROUP, METHOD FOR PRODUCING THE SAME, AND CHARGE CONTROL AGENT, TONER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2004-07-22 WO disclosed
WO-2004061529-A1 NOVEL POLYHYDROXYALKANOATE HAVING AMIDE, SULFONIC ACID OR SULFONATE ESTER GROUP, CHARGE CONTROL AGENT AND TONER CANON KABUSHIKI KAISHA (JP) 2004-07-22 WO disclosed
CN-1112412-C Diazo coupling process of polymer to synthesize high molecular epoxy resin dye UNIV TSINGHUA (CN) 2003-06-25 CN disclosed
CN-1284524-A Diazo coupling process of polymer to synthesize high molecular epoxy resin dye UNIV QINGHUA (CN) 2001-02-21 CN disclosed
US-4457866-A MEDICAL DIAGNOSIS BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1984-07-03 US disclosed
US-4217304-A Continuous reduction process CIBA-GEIGY AG (CH) 1980-08-12 US disclosed
US-3998957-A 1,1'-(UREYLENEBIS(SULFO-P-PHENYLENE)BISSULFO-1H,8H-INDAZOLO(2,3,4-CDE)BENZOTRIAZOL-9-IUM HYDROXIDE)INNER SALT AMERICAN CYANAMID COMPANY (US) 1976-12-21 US disclosed
US-3942987-A Photographic materials with ballasted, alkali cleavable azo dyes EASTMAN KODAK COMPANY 1976-03-09 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 (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-20240167922-A1 TRANSPARENTIZING REAGENT AND TRANSPARENTIZING METHOD TST, TTR, ALB THRB 3234/4885PDE4A 4879/4885PDE4B 4873/4885

“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.