SCHEMBL341089

SCHEMBL341089

O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(S(=O)(=O)O)cc2c1O.[Na+]

nearest known ligand 0.97

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
CA12 known ✓ O43570 5/20 0.51
CA1 known ✓ P00915 5/20 0.51
CA2 known ✓ P00918 5/20 0.51
CA4 known ✓ P22748 1/20 0.41
ALDH1A1 P00352 2/20 0.97
HPGD P15428 2/20 0.97
TDP1 Q9NUW8 1/20 0.97
GAA P10253 2/20 0.58
CASP6 P55212 2/20 0.58
NSD2 O96028 1/20 0.58
PLCG1 P19174 1/20 0.58
DNMT1 P26358 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CA9 Q16790 6/20 0.51
CTSB P07858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44

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
SCHEMBL7202147 1.00 ALDH1A1 (0.97) ALDH1A1HPGDTDP1GAACASP6
SCHEMBL10337685 0.98 ALDH1A1 (1.00) ALDH1A1HPGDTDP1GAACASP6
SCHEMBL29376983 0.98 ALDH1A1 (1.00) ALDH1A1HPGDTDP1GAACASP6
SCHEMBL93200 0.98 ALDH1A1 (1.00) ALDH1A1HPGDTDP1GAACASP6
Water SCHEMBL18832246 0.97 ALDH1A1 (0.97) ALDH1A1HPGDTDP1GAACASP6
SCHEMBL11527723 0.97 ALDH1A1 (0.97) ALDH1A1HPGDTDP1GAACASP6
SCHEMBL146864 0.97 ALDH1A1 (0.97) ALDH1A1HPGDTDP1GAACASP6
Water SCHEMBL5050373 0.97 ALDH1A1 (0.97) ALDH1A1HPGDTDP1GAACASP6
SCHEMBL7920625 0.97 ALDH1A1 (0.97) ALDH1A1HPGDTDP1GAACASP6
SCHEMBL7920628 0.88 ALDH1A1 (0.75) ALDH1A1HPGDTDP1GAACASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250108658-A1 INKJET PRINTING PROCESSES FOR TEMPORARY TATTOOS Prism Inks, Inc. (US) 2025-04-03 US disclosed
WO-2022188373-A1 METHOD FOR DETECTING WATER-SOLUBLE ANIONIC SYNTHETIC PIGMENT IN FOOD 广州市食品检验所(广州市酒类检测中心) 2022-09-15 WO disclosed
EP-2710996-B1 Sunscreen compositions comprising colour pigments BASF SE (DE) 2022-08-17 EP disclosed
US-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants BASF SE (DE) 2022-07-12 US disclosed
CN-107108388-B Composition comprising (thio) phosphoric triamide and other compounds such as amines and colorants with improved urease-inhibiting effect 巴斯夫欧洲公司 2021-02-26 CN disclosed
CN-112374933-A Composition comprising (thio) phosphoric triamide and other compounds such as amines and colorants with improved urease-inhibiting effect 巴斯夫欧洲公司 2021-02-19 CN disclosed
EP-3763692-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO) PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2021-01-13 EP disclosed
EP-3763691-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2021-01-13 EP disclosed
EP-3725756-A2 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING AMINES, OR COLORANTS, AND AN ADDUCT OF THE THREE COMPOUNDS N-(N-BUTYL) THIOPHOSPHORIC ACID TRIAMIDE (NBPT), UREA, AND FORMALDEHYDE BASF SE (DE) 2020-10-21 EP disclosed
US-20200157018-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2020-05-21 US disclosed
EP-1083861-B1 HYDROUS COSMETIC OR PHARMACEUTICAL STICKS BEIERSDORF AG (DE) 2005-09-21 EP disclosed
US-20050002974-A1 Itch-relieving cosmetic or dermatological preparation BEIERSDORF AG (DE) 2005-01-06 US disclosed
EP-1458332-A1 CLEANING PRODUCTS BASED ON MICROEMULSIONS THAT CONTAIN OIL Beiersdorf AG (DE) 2004-09-22 EP disclosed
EP-1450760-A2 ITCH-RELIEVING COSMETIC AND DERMATOLOGICAL PREPARATIONS Beiersdorf AG (DE) 2004-09-01 EP disclosed
WO-2004024110-A1 COSMETIC PREPARATION BASED ON OIL-CONTAINING MICROEMULSIONS BEIERSDORF AG (DE) 2004-03-25 WO disclosed
WO-2003051319-A1 CLEANING PRODUCTS BASED ON MICROEMULSIONS THAT CONTAIN OIL BEIERSDORF AG (DE) 2003-06-26 WO disclosed
WO-2003045349-A2 ITCH-RELIEVING COSMETIC AND DERMATOLOGICAL PREPARATIONS BEIERSDORF AG (DE) 2003-06-05 WO disclosed
EP-1310235-A2 Emulsifier-free cosmetic and dermatological sunscreen formulations comprising hydroxybenzophenones Beiersdorf AG (DE) 2003-05-14 EP disclosed
EP-1083861-A1 HYDROUS COSMETIC OR PHARMACEUTICAL STICKS Beiersdorf Aktiengesellschaft (DE) 2001-03-21 EP disclosed
WO-1999065454-A1 HYDROUS COSMETIC OR PHARMACEUTICAL STICKS BEIERSDORF AG (DE) 1999-12-23 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 (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-20050002974-A1 Itch-relieving cosmetic or dermatological preparation ITCH, SMURF2, SMURF1 CA12 1646/4885CA1 3683/4885CA2 2805/4885
US-20200157018-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS SLC14A1, XDH, PNP CA12 314/4885CA1 464/4885CA2 162/4885
US-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants SLC14A1, XDH, PNP CA12 314/4885CA1 464/4885CA2 162/4885

“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.