SCHEMBL2483873

SCHEMBL2483873

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

nearest known ligand 0.57

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 18)

geneUniProtsupporting neighboursconfidence
ALOX5 known ✓ P09917 1/20 0.48
ALDH1A1 P00352 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
HSD17B10 Q99714 1/20 0.56
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
NT5E P21589 1/20 0.49
VCAM1 P19320 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NHERF1 O14745 1/20 0.47
MCL1 Q07820 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
HSD11B1 P28845 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
SCHEMBL9838827 0.98 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL390493 0.98 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
Hydrochloric Acid SCHEMBL9735262 0.97 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL27782371 0.97 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
Water SCHEMBL8747163 0.97 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL5075926 0.97 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL2483874 0.97 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL2483869 0.97 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL10453008 0.87 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL10453009 0.87 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778172-B Brilliant blue dye intermediate, reactive Brilliant blue dye and preparation method and application thereof 湖北丽源科技股份有限公司 2023-03-17 CN disclosed
CN-114086160-A Copper surface chemical plating palladium activating solution and application thereof 江苏艾森半导体材料股份有限公司 2022-02-25 CN disclosed
CN-112778172-A Novel brilliant blue dye intermediate, reactive brilliant blue dye and preparation method and application thereof 湖北丽源科技股份有限公司 2021-05-11 CN disclosed
CN-108997175-B Method for preparing sodium m-nitrobenzenesulfonate and derivatives thereof by sulfonating chlorosulfonic acid 金华双宏化工有限公司 2021-03-26 CN disclosed
EP-2376428-A2 NEW INHIBITORS FOR TREATING DISEASES ASSOCIATED WITH AN EXCESS TRANSPORT OF HYALURONAN Universitätsklinikum Münster (DE) 2011-10-19 EP disclosed
US-20110245335-A1 NEW INHIBITORS FOR TREATING DISEASES ASSOCIATED WITH AN EXCESS TRANSPORT OF HYALURONAN UNIVERSITAETSKLINIKUM MUENSTER (DE) 2011-10-06 US disclosed
WO-2010066909-A2 NEW INHIBITORS FOR TREATING DISEASES ASSOCIATED WITH AN EXCESS TRANSPORT OF HYALURONAN Universitätsklinikum Münster (DE) 2010-06-17 WO disclosed
CN-1169710-C Process for preparing hydrogen sulfide 唐培� 2004-10-06 CN disclosed
CN-1342600-A Process for preparing hydrogen sulfide TANG PEIKUN (CN) 2002-04-03 CN disclosed
US-5854179-A Sulfur-substituted phenylsulfonylureas, processes for their preparation and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 1998-12-29 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-20110245335-A1 NEW INHIBITORS FOR TREATING DISEASES ASSOCIATED WITH AN EXCESS TRANSPORT OF HYALURONAN SLC10A1, ABCB11, HEXD ALOX5 882/4885ALDH1A1 562/4885SMN1; SMN2 2467/4885

“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.