SCHEMBL8410072

SCHEMBL8410072

Nc1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(N)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 4/20 0.46
▸ CA1 known ✓ P00915 4/20 0.46
▸ CA2 known ✓ P00918 4/20 0.46
▸ P2RY4 known ✓ P51582 6/20 0.43
▸ THRB known ✓ P10828 1/20 0.43
▸ P2RY12 known ✓ Q9H244 6/20 0.43
▸ P2RY2 known ✓ P41231 5/20 0.43
▸ P2RY6 known ✓ Q15077 3/20 0.43
▸ P2RY1 known ✓ P47900 2/20 0.41
▸ RAD51 Q06609 2/20 0.54
▸ CA9 Q16790 4/20 0.46
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL29498238 1.00 RAD51 (0.54) RAD51CA12CA1CA2CA9
SCHEMBL21747691 1.00 RAD51 (0.54) RAD51CA12CA1CA2CA9
Potassium Ion SCHEMBL2219778 0.98 RAD51 (0.51) RAD51CA12CA1CA2CA9
SCHEMBL29737199 0.94 RAD51 (0.60) RAD51CA12CA1CA2CA9
SCHEMBL30532269 0.94 RAD51 (0.60) RAD51CA12CA1CA2CA9
SCHEMBL893765 0.94 RAD51 (0.60) RAD51CA12CA1CA2CA9
SCHEMBL1169584 0.94 RAD51 (0.60) RAD51CA12CA1CA2CA9
SCHEMBL2221675 0.91 RAD51 (0.46) RAD51CA12CA1CA2CA9
SCHEMBL4821301 0.89 RAD51 (0.55) RAD51CA12CA1CA2CA9
SCHEMBL8410035 0.89 RAD51 (0.55) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613834-B1 TREATMENT COMPOSITIONS COMPRISING LOW LEVELS OF AN OLIGOAMINE PROCTER & GAMBLE (US) 2026-04-01 — — EP disclosed
US-20250313777-A1 TREATMENT COMPOSITIONS COMPRISING ETHOXYQUIN PROCTER & GAMBLE COMPANY, THE 2025-10-09 — — US disclosed
US-12195702-B2 Treatment compositions comprising low levels of an oligoamine THE PROCTER & GAMBLE COMPANY (US) 2025-01-14 — — US disclosed
US-20220177810-A1 TREATMENT COMPOSITIONS COMPRISING LOW LEVELS OF AN OLIGOAMINE PROCTER & GAMBLE (US) 2022-06-09 — — US disclosed
US-11326129-B2 Fabric care compositions that include a graft copolymer and related methods THE PROCTER & GAMBLE COMPANY (US) 2022-05-10 — — US disclosed
US-11279901-B2 Treatment compositions comprising low levels of an oligoamine THE PROCTER & GAMBLE COMPANY (US) 2022-03-22 — — US disclosed
US-11274266-B2 Treatment compositions comprising a surfactant system and an oligoamine THE PROCTER & GAMBLE COMPANY (US) 2022-03-15 — — US disclosed
WO-2021067983-A1 FABRIC CARE COMPOSITIONS THAT INCLUDE A COPOLYMER AND RELATED METHODS THE PROCTER & GAMBLE COMPANY (US) 2021-04-08 — — WO disclosed
WO-2021067984-A1 FABRIC CARE COMPOSITIONS THAT INCLUDE A COPOLYMER AND RELATED METHODS THE PROCTER & GAMBLE COMPANY (US) 2021-04-08 — — WO disclosed
US-20210095229-A1 FABRIC CARE COMPOSITIONS THAT INCLUDE A COPOLYMER AND RELATED METHODS THE PROCTER AND GAMBLE COMPANY 2021-04-01 — — US disclosed
EP-3798289-A1 FABRIC CARE COMPOSITIONS THAT INCLUDE A COPOLYMER AND RELATED METHODS The Procter & Gamble Company (US) 2021-03-31 — — EP disclosed
EP-3798288-A1 FABRIC CARE COMPOSITIONS THAT INCLUDE A COPOLYMER AND RELATED METHODS The Procter & Gamble Company (US) 2021-03-31 — — EP disclosed
US-20200063069-A1 TREATMENT COMPOSITIONS COMPRISING A SURFACTANT SYSTEM AND AN OLIGOAMINE THE PROCTER AND GAMBLE COMPANY 2020-02-27 — — US disclosed
US-20200063068-A1 TREATMENT COMPOSITIONS COMPRISING LOW LEVELS OF AN OLIGOAMINE THE PROCTER AND GAMBLE COMPANY 2020-02-27 — — US disclosed
EP-3613835-A1 TREATMENT COMPOSITIONS COMPRISING A SURFACTANT SYSTEM AND AN OLIGOAMINE The Procter & Gamble Company (US) 2020-02-26 — — EP disclosed
EP-3613834-A1 TREATMENT COMPOSITIONS COMPRISING LOW LEVELS OF AN OLIGOAMINE The Procter & Gamble Company (US) 2020-02-26 — — EP disclosed
EP-0550048-B2 Inorganic ion exchange material and detergent composition KAO CORP (JP) 1999-07-28 — — EP disclosed
US-5427711-A An ion exchanger comprising the oxide of sodium and/or potassium, calcium and/or magnesium, silicon; alkalinity, water insolubility KAO CORPORATION (JP) 1995-06-27 — — US disclosed
EP-0550048-A1 Inorganic ion exchange material and detergent composition Kao Corporation (JP) 1993-07-07 — — EP 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 (4 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-20220177810-A1 TREATMENT COMPOSITIONS COMPRISING LOW LEVELS OF AN OLIGOAMINE OAT, OTC, PHOSPHO1 CA12 2755/4885CA1 3265/4885CA2 4354/4885
US-12195702-B2 Treatment compositions comprising low levels of an oligoamine OAT, OTC, PHOSPHO1 CA12 2755/4885CA1 3265/4885CA2 4354/4885
US-20200063068-A1 TREATMENT COMPOSITIONS COMPRISING LOW LEVELS OF AN OLIGOAMINE OAT, OTC, PHOSPHO1 CA12 2755/4885CA1 3265/4885CA2 4354/4885
US-11279901-B2 Treatment compositions comprising low levels of an oligoamine OAT, OTC, PHOSPHO1 CA12 2755/4885CA1 3265/4885CA2 4354/4885

“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.

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