SCHEMBL3144480

SCHEMBL3144480

CN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(/C=C/c3ccc(Nc4nc(Nc5ccccc5)nc(N(C)CCO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[Na+]

nearest known ligand 0.55

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
CA1 known ✓ P00915 8/20 0.55
CA2 known ✓ P00918 8/20 0.55
CA12 known ✓ O43570 6/20 0.55
THRB known ✓ P10828 1/20 0.35
P2RY4 known ✓ P51582 1/20 0.35
CA9 Q16790 8/20 0.55
RAD51 Q06609 5/20 0.46
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
RECQL P46063 2/20 0.37
MCL1 Q07820 1/20 0.37
NPY5R Q15761 1/20 0.36
EGFR P00533 1/20 0.36
RHOA P61586 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL29404788 1.00 CA1 (0.55) CA1CA2CA9CA12RAD51
SCHEMBL344719 1.00 CA1 (0.55) CA1CA2CA9CA12RAD51
SCHEMBL29351875 1.00 CA1 (0.55) CA1CA2CA9CA12RAD51
Potassium Ion SCHEMBL2220679 0.98 CA1 (0.55) CA1CA2CA9CA12RAD51
SCHEMBL15268408 0.94 CA1 (0.49) CA1CA2CA9CA12RAD51
SCHEMBL15268409 0.94 CA1 (0.49) CA1CA2CA9CA12RAD51
SCHEMBL2217925 0.94 CA1 (0.51) CA1CA2CA9CA12RAD51
SCHEMBL789843 0.91 CA1 (0.53) CA1CA2CA9CA12ALDH1A1
SCHEMBL789844 0.91 CA1 (0.53) CA1CA2CA9CA12ALDH1A1
SCHEMBL30449330 0.91 CA1 (0.53) CA1CA2CA9CA12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3194546-B1 WHITENING COMPOSITION UNILEVER PLC NO 41424 (GB) 2019-09-04 EP claimed
CN-106661504-B Lightening compositions 荷兰联合利华有限公司 2019-07-12 CN claimed
EP-3194546-A1 WHITENING COMPOSITION Unilever Plc, A Company Registered In England And Wales under company no. 41424 of Unilever House (GB) 2017-07-26 EP claimed
CN-106661504-A Whitening composition 荷兰联合利华有限公司 2017-05-10 CN claimed
WO-2016041679-A1 WHITENING COMPOSITION UNILEVER PLC (GB) 2016-03-24 WO claimed
CN-101120046-B Molded article exhibiting multi-color effects, associated lighting device and resin ARKEMA FRANCE 2011-02-23 CN claimed
US-20080214706-A1 Moulded Object Exhibiting a Polychromatic Effect, Associated Light Device and Resin ARKEMA FRANCE (FR) 2008-09-04 US claimed
EP-1848763-B1 MOULDED OBJECT EXHIBITING A POLYCHROMATIC EFFECT, ASSOCIATED LIGHT DEVICE AND RESIN ARKEMA FRANCE (FR) 2008-04-16 EP claimed
CN-101120046-A Molded article exhibiting multi-color effects, associated lighting device and resin ARKEMA FRANCE (FR) 2008-02-06 CN claimed
EP-1848763-A1 MOULDED OBJECT EXHIBITING A POLYCHROMATIC EFFECT, ASSOCIATED LIGHT DEVICE AND RESIN Arkema France (FR) 2007-10-31 EP claimed
WO-2006087241-A1 MOULDED OBJECT EXHIBITING A POLYCHROMATIC EFFECT, ASSOCIATED LIGHT DEVICE AND RESIN ARKEMA FRANCE (FR) 2006-08-24 WO claimed
US-12545856-B2 Detergent compositions comprising secondary alkane sultanate, a second anionic surfactant, and alkyl hydroxysultaine cosurfactant CONOPCO, INC. (US) 2026-02-10 US disclosed
US-12303582-B2 Composition for the treatment of nail fungus OYSTERSHELL NV (BE) 2025-05-20 US disclosed
EP-3990598-B1 DETERGENT COMPOSITION UNILEVER GLOBAL IP LTD (GB) 2025-05-07 EP disclosed
EP-4448703-B1 DETERGENT COMPOSITIONS UNILEVER IP HOLDINGS B V (NL) 2025-05-07 EP disclosed
WO-2003022924-A1 POLYMER DISPERSIONS COMPRISING VINYLAMIDE COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 2003-03-20 WO disclosed
WO-2003021041-A2 METHOD FOR INCREASING THE WHITENESS OF PAPER BY MEANS OF CATIONIC POLYELECTROLYTES BASF AKTIENGESELLSCHAFT (DE) 2003-03-13 WO disclosed
WO-2003020808-A1 REINFORCEMENT OF THE EFFECT OF OPTICAL BRIGHTENERS BY MEANS OF POLYMERS BASF AKTIENGESELLSCHAFT (DE) 2003-03-13 WO disclosed
WO-2003016624-A1 METHOD FOR PRODUCTION OF COATED PAPER WITH EXTREME WHITENESS BASF AKTIENGESELLSCHAFT (DE) 2003-02-27 WO disclosed
EP-0046342-B1 DETERGENT COMPOSITIONS AND PROCESSES OF MAKING THEREOF THE PROCTER & GAMBLE COMPANY (US) 1985-02-13 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 (2 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-12545856-B2 Detergent compositions comprising secondary alkane sultanate, a second anionic surfactant, and alkyl hydroxysultaine cosurfactant SCD, STS, FFAR2 CA1 853/4885CA2 573/4885CA12 1294/4885
US-12303582-B2 Composition for the treatment of nail fungus DPM1, PIK3C3, ETF1 CA1 1300/4885CA2 595/4885CA12 393/4885

“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.