SCHEMBL893765

SCHEMBL893765

O=S(=O)([O-])c1cc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1C=Cc1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.60

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 4/20 0.46
CA1 known ✓ P00915 4/20 0.46
CA2 known ✓ P00918 4/20 0.46
P2RY4 known ✓ P51582 3/20 0.42
THRB known ✓ P10828 1/20 0.42
P2RY12 known ✓ Q9H244 3/20 0.42
P2RY2 known ✓ P41231 2/20 0.42
P2RY6 known ✓ Q15077 2/20 0.42
RAD51 Q06609 8/20 0.60
CA9 Q16790 4/20 0.46
RHOA P61586 1/20 0.43
MAPT P10636 3/20 0.42
USP2 O75604 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL30532269 1.00 RAD51 (0.60) RAD51CA12CA1CA2CA9
SCHEMBL1169584 1.00 RAD51 (0.60) RAD51CA12CA1CA2CA9
SCHEMBL29737199 1.00 RAD51 (0.60) RAD51CA12CA1CA2CA9
SCHEMBL4821260 0.95 RAD51 (0.55) RAD51CA12CA1CA2CA9
SCHEMBL4821301 0.95 RAD51 (0.55) RAD51CA12CA1CA2CA9
SCHEMBL8410050 0.95 RAD51 (0.55) RAD51CA12CA1CA2CA9
SCHEMBL8410035 0.95 RAD51 (0.55) RAD51CA12CA1CA2CA9
SCHEMBL8012728 0.94 RAD51 (0.54) RAD51CA12CA1CA2CA9
SCHEMBL4435900 0.94 RAD51 (0.54) RAD51CA12CA1CA2CA9
SCHEMBL11879420 0.94 CA12 (0.56) RAD51CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11015153-B2 Unitary laundry detergent article THE PROCTER & GAMBLE COMPANY (US) 2021-05-25 US claimed
EP-1555009-B1 Skin make-up composition OREAL (FR) 2010-07-14 EP claimed
WO-2010065917-A1 METHODS OF TREATING NEUROLOGICAL DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-10 WO claimed
US-20090218544-A1 BLEACHING COMPOSITION COMPRISING AN ALKOXYLATED BENZOIC ACID THE PROCTER & GAMBLE COMPANY (US) 2009-09-03 US claimed
EP-1462564-B1 Bleaching composition comprising trimethoxy benzoic acid or a salt thereof PROCTER & GAMBLE (US) 2009-01-21 EP claimed
US-20080261855-A1 Bleaching composition comprising an alkoxylated benzoic acid BRIATORE ANDREA 2008-10-23 US claimed
US-20080184495-A1 Dye composition comprising a reactive silicone and a fluorescent dye, and dyeing process using the composition L'OREAL S.A. (FR) 2008-08-07 US claimed
EP-1614742-B1 Bleaching composition comprising a cyclic hindered amine PROCTER & GAMBLE (US) 2007-12-05 EP claimed
US-20070266502-A1 Bleaching composition comprising a cyclic hindered amine THE PROCTER & GAMBLE COMPANY (US) 2007-11-22 US claimed
US-7261744-B2 Method for dyeing or coloring human keratin materials with lightening effect using a composition comprising at least one fluorescent compound and at least one optical brightener L'OREAL S.A. (FR) 2007-08-28 US claimed
US-20040241115-A1 Nail varnish composition comprising fibers covered with at least one fluorescent whitening agent L'OREAL S.A. (FR) 2004-12-02 US claimed
EP-0962224-B1 Optical azurants as skin bleaching agent OREAL (FR) 2004-11-03 EP claimed
WO-2004088028-A1 BLEACHING COMPOSITION COMPRISING AN ALKOXYLATED BENZOIC ACID THE PROCTER & GAMBLE COMPANY (US) 2004-10-14 WO claimed
US-20040192571-A1 Bleaching composition comprising an alkoxylated benzoic acid THE PROCTER & GAMBLE COMPANY 2004-09-30 US claimed
EP-1462564-A1 Bleaching composition comprising trimethoxy benzoic acid or a salt thereof THE PROCTER & GAMBLE COMPANY (US) 2004-09-29 EP claimed
US-6488917-B2 FOR BLEACHING SKIN L'OREAL (FR) 2002-12-03 US claimed
US-20010010812-A1 Optical brighteners as bleaching agents L'OREAL (FR) 2001-08-02 US claimed
US-6203781-B1 APPLYING COSMETIC SODIUM 4,4*BIS(4,6-DIANILINO-1,3,5-TRIAZIN-2-YL)AMINO)STILBENE-2,2*-D ISULFONATE AND 2,5-THIOPHENEDIYLBIS(5-TERT-BUTYL-1,3-BENZOXAZOLE L'OREAL (FR) 2001-03-20 US claimed
US-4005026-A Detergent compositions containing novel crystalline forms of optical brighteners STERLING DRUG INC. (US) 1977-01-25 US claimed
US-3951960-A BIS-TRIAZINYLAMINOSTILBENE STERLING DRUG INC. (US) 1976-04-20 US 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 (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-20080184495-A1 Dye composition comprising a reactive silicone and a fluorescent dye, and dyeing process using the composition KRT18, VIM, CD44 CA12 1362/4885CA1 1828/4885CA2 2651/4885
US-20010010812-A1 Optical brighteners as bleaching agents GLA, CUTA, LPO CA12 3221/4885CA1 4689/4885CA2 1917/4885
US-20040241115-A1 Nail varnish composition comprising fibers covered with at least one fluorescent whitening agent POLR1C, NACA, DPM1 CA12 4146/4885CA1 4685/4885CA2 3963/4885

“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.