SCHEMBL4435900

SCHEMBL4435900

CNc1nc(Nc2ccccc2)nc(Nc2ccc(/C=C/c3ccc(Nc4nc(NC)nc(Nc5ccccc5)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[Na+]

nearest known ligand 0.54

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 3/20 0.48
CA1 known ✓ P00915 3/20 0.48
CA2 known ✓ P00918 3/20 0.48
CA4 known ✓ P22748 2/20 0.48
PDE4A known ✓ P27815 1/20 0.40
THRB known ✓ P10828 1/20 0.39
P2RY4 known ✓ P51582 1/20 0.39
RAD51 Q06609 5/20 0.54
CA9 Q16790 3/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
CA7 P43166 2/20 0.48
CA13 Q8N1Q1 2/20 0.48
CA14 Q9ULX7 2/20 0.48
LMNA P02545 3/20 0.47
GAA P10253 2/20 0.47
TERT O14746 2/20 0.43
CA3 P07451 1/20 0.43
IDH2 P48735 1/20 0.41
MEN1 O00255 3/20 0.40

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
SCHEMBL2220868 1.00 RAD51 (0.54) RAD51CA12CA1CA2CA9
SCHEMBL893765 0.94 RAD51 (0.60) RAD51CA12CA1CA2CA9
SCHEMBL29737199 0.94 RAD51 (0.60) RAD51CA12CA1CA2CA9
SCHEMBL1169584 0.94 RAD51 (0.60) RAD51CA12CA1CA2CA9
SCHEMBL30532269 0.94 RAD51 (0.60) RAD51CA12CA1CA2CA9
SCHEMBL8410050 0.89 RAD51 (0.55) RAD51CA12CA1CA2CA9
SCHEMBL4821260 0.89 RAD51 (0.55) RAD51CA12CA1CA2CA9
SCHEMBL4821301 0.89 RAD51 (0.55) RAD51CA12CA1CA2CA9
SCHEMBL8410035 0.89 RAD51 (0.55) RAD51CA12CA1CA2CA9
SCHEMBL8012728 0.88 RAD51 (0.54) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947483-B2 Encapsulates PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2021-03-16 US claimed
US-10604728-B2 Encapsulates PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2020-03-31 US claimed
US-20200071639-A1 Encapsulates PROCTER & GAMBLE INT OPERATIONS SA (CH) 2020-03-05 US claimed
US-20170130172-A1 ENCAPSULATES PROCTER & GAMBLE (US) 2017-05-11 US claimed
US-20160304817-A1 ENCAPSULATES PROCTER & GAMBLE (US) 2016-10-20 US claimed
US-20160130537-A1 ENCAPSULATES PROCTER & GAMBLE (US) 2016-05-12 US claimed
EP-2999776-A2 ENCAPSULATES The Procter & Gamble Company (US) 2016-03-30 EP claimed
WO-2014189906-A2 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2014-11-27 WO claimed
WO-2014189980-A1 ENCAPSULATES PGIOSA (CH) 2014-11-27 WO claimed
EP-2806018-A1 ENCAPSULATES The Procter & Gamble Company (US) 2014-11-26 EP claimed
US-20140338134-A1 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2014-11-20 US claimed
EP-2126017-A1 LIQUID LAUNDRY DETERGENT COMPOSITIONS COMPRISING PERFORMANCE BOOSTERS The Procter and Gamble Company (US) 2009-12-02 EP claimed
WO-2008114171-A1 LIQUID LAUNDRY DETERGENT COMPOSITIONS COMPRISING PERFORMANCE BOOSTERS THE PROCTER & GAMBLE COMPANY (US) 2008-09-25 WO claimed
EP-1807496-A1 FABRIC CARE COMPOSITIONS COMPRISING HUEING DYE The Procter and Gamble Company (US) 2007-07-18 EP claimed
WO-2006041954-A1 FABRIC CARE COMPOSITIONS COMPRISING HUEING DYE THE PROCTER & GAMBLE COMPANY (US) 2006-04-20 WO claimed
US-20060079438-A1 Fabric care compositions comprising hueing dye PROCTER & GAMBLE COMPANY, THE 2006-04-13 US claimed
US-11066657-B2 Methods and compositions for stabilizing trans-splicing intein modified proteases AGRIVIDA, INC (US) 2021-07-20 US disclosed
US-10947483-B2 Encapsulates PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2021-03-16 US disclosed
EP-2126017-A1 LIQUID LAUNDRY DETERGENT COMPOSITIONS COMPRISING PERFORMANCE BOOSTERS The Procter and Gamble Company (US) 2009-12-02 EP disclosed
WO-2008114171-A1 LIQUID LAUNDRY DETERGENT COMPOSITIONS COMPRISING PERFORMANCE BOOSTERS THE PROCTER & GAMBLE COMPANY (US) 2008-09-25 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-20200071639-A1 Encapsulates LIPA, TTPA, CHMP4B CA12 1532/4885CA1 3244/4885CA2 3928/4885
US-10947483-B2 Encapsulates LIPA, TTPA, CHMP4B CA12 1532/4885CA1 3244/4885CA2 3928/4885
US-11066657-B2 Methods and compositions for stabilizing trans-splicing intein modified proteases RTCB, RNASE1, CPSF1 CA12 3521/4885CA1 3161/4885CA2 4434/4885

“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.