SCHEMBL2065313

SCHEMBL2065313

CCC(C)c1cc(S(=O)(=O)[O-])cc(-n2nc3ccccc3n2)c1O.[Na+]

nearest known ligand 0.43

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 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 5/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 4/20 0.35
PKLR P30613 2/20 0.34
HPGD P15428 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2065314 0.88 NPC1 (0.43) POLBNPC1RAB9ALMNAKDM4E
SCHEMBL547800 0.88 NPC1 (0.43) POLBNPC1RAB9ALMNAKDM4E
SCHEMBL2065312 0.87 NPC1 (0.42) POLBNPC1RAB9ALMNAKDM4E
SCHEMBL7514663 0.87 NPC1 (0.45) POLBNPC1RAB9ALMNAKDM4E
Ammonia Solution, Strong SCHEMBL6829752 0.87 NPC1 (0.42) POLBNPC1RAB9ALMNAKDM4E
SCHEMBL21486148 0.85 NPC1 (0.41) POLBNPC1RAB9ALMNAKDM4E
Sulfuric Acid SCHEMBL27655805 0.83 NPC1 (0.42) POLBNPC1RAB9ALMNAKDM4E
Sulfuric Acid SCHEMBL3125706 0.82 TSHR (0.41) POLBNPC1RAB9ALMNAKDM4E
SCHEMBL6920544 0.82 POLB (0.44) POLBNPC1RAB9ALMNAKDM4E
SCHEMBL7511427 0.82 NPC1 (0.38) POLBNPC1RAB9ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664173-B2 Premoistened cleaning disposable substrate for leather and method of preserving a leather surface by contacting said surface with said substrate BASF SE (DE) 2014-03-04 US claimed
US-20080171683-A1 Premoistened cleaning disposable substrate for leather and method of preserving a leather surface by contacting said surface with said substrate BASF SE (DE) 2008-07-17 US claimed
WO-2008083927-A1 PREMOISTENED CLEANING DISPOSABLE SUBSTRATE FOR LEATHER AND METHOD OF PRESERVING A LEATHER SURFACE BY CONTACTING SAID SURFACE WITH SAID SUBSTRATE CIBA HOLDING INC. (CH) 2008-07-17 WO claimed
US-7368489-B2 Additive for inhibiting photolytic degradation reactions in aminoplasts AMI—Agrolinz Melamine International GmbH (AT) 2008-05-06 US claimed
US-20050234160-A1 Additive for inhibiting photolytic degradation reactions in aminoplasts AMI-AGROLINZ MELAMINE INTERNATIONAL GMBH (AT) 2005-10-20 US claimed
US-6838559-B2 Purine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2005-01-04 US claimed
EP-1456296-A1 ADDITIVE FOR INHIBITING PHOTOLYTIC DEGRADATION REACTIONS IN AMINOPLASTS AMI Agrolinz Melamine International GmbH (AT) 2004-09-15 EP claimed
EP-1428520-A2 Lipase inhibitors in deodorants and antiperspirants Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-16 EP claimed
WO-2003054083-A1 ADDITIVE FOR INHIBITING PHOTOLYTIC DEGRADATION REACTIONS IN AMINOPLASTS AMI - AGROLINZ MELAMINE INTERNATIONAL GMBH (AT) 2003-07-03 WO claimed
WO-2001062216-A9 HAIR TREATMENT COMPOSITIONS AND THEIR USE PROCTER & GAMBLE (US) 2002-10-17 WO claimed
WO-2001062215-A2 HAIR TREATMENT COMPOSITIONS AND THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2001-08-30 WO claimed
EP-4711403-A1 ANTI-UV COATING Nexdot (FR) 2026-03-18 EP disclosed
US-20260071081-A1 ANTI-UV COATING NEXDOT (FR) 2026-03-12 US disclosed
US-12435175-B2 Melamine-formaldehyde foam with improved weather resistance BASF SE (DE) 2025-10-07 US disclosed
EP-4558121-A1 FRAGRANCED COMPOSITION COMPRISING AT LEAST ONE SULFUR-COMPRISING ANTIOXIDANT COMPOUND, AT LEAST ONE ORGANIC UV SCREENING AGENT AND AT LEAST ONE FRAGRANCING SUBSTANCE L'OREAL (FR) 2025-05-28 EP disclosed
WO-2001062216-A2 HAIR TREATMENT COMPOSITIONS AND THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2001-08-30 WO disclosed
WO-2001062215-A2 HAIR TREATMENT COMPOSITIONS AND THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2001-08-30 WO disclosed
US-6254724-B1 STABILIZING AMOUNT OF A HINDERED AMINE COMPOUND SELECTED DERIVATIVES OF 1-OXYL-2,2,6,6-TETRAMETHYL-PIPERIDIN-4-OL OR WHICH ARE THEIR HYDROXYLAMINE SALTS CIBA SPECIALTY CHEMICALS CORPORATION 2001-07-03 US disclosed
EP-1000032-A1 INHIBITION OF PULP AND PAPER YELLOWING USING NITROXIDES AND OTHER COADDITIVES Ciba SC Holding AG (CH) 2000-05-17 EP disclosed
WO-1999005108-A1 INHIBITION OF PULP AND PAPER YELLOWING USING NITROXIDES AND OTHER COADDITIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-02-04 WO 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-20260071081-A1 ANTI-UV COATING GC, SOD1, TYR POLB 1260/4885NPC1 2298/4885RAB9A 2372/4885

“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.