SCHEMBL1234749

SCHEMBL1234749

O=S(=O)([O-])c1cc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.63

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 0.63
CA1 known ✓ P00915 5/20 0.63
CA2 known ✓ P00918 5/20 0.63
PTGS2 known ✓ P35354 1/20 0.46
CA9 Q16790 5/20 0.63
LMNA P02545 3/20 0.58
HTT P42858 1/20 0.58
MAPT P10636 5/20 0.52
POLB P06746 2/20 0.52
TP53 P04637 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 2/20 0.47
PIKFYVE Q9Y2I7 1/20 0.47

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
SCHEMBL1079927 1.00 CA12 (0.63) CA12CA1CA2CA9LMNA
SCHEMBL29349737 1.00 CA12 (0.63) CA12CA1CA2CA9LMNA
SCHEMBL29351462 1.00 CA12 (0.63) CA12CA1CA2CA9LMNA
SCHEMBL10928532 0.96 CA12 (0.59) CA12CA1CA2CA9LMNA
SCHEMBL8746483 0.96 CA12 (0.59) CA12CA1CA2CA9LMNA
SCHEMBL30462508 0.93 CA12 (0.57) CA12CA1CA2CA9LMNA
SCHEMBL8411922 0.91 LMNA (0.60) CA12CA1CA2CA9LMNA
SCHEMBL11730543 0.91 CA12 (0.60) CA12CA1CA2CA9LMNA
SCHEMBL1249654 0.90 CA12 (0.55) CA12CA1CA2CA9LMNA
SCHEMBL31121933 0.89 CA12 (0.61) CA12CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338365-B2 Pigmented multifunctional barrier coating compositions B/E AEROSPACE, INC. (US) 2025-06-24 US claimed
EP-4375340-A1 PIGMENTED MULTIFUNCTIONAL BARRIER COATING COMPOSITIONS B/E Aerospace, Inc. (US) 2024-05-29 EP claimed
US-20240158644-A1 PIGMENTED MULTIFUNCTIONAL BARRIER COATING COMPOSITIONS B/E AEROSPACE, INC. 2024-05-16 US claimed
EP-4144804-A1 MULTIFUNCTIONAL BARRIER COATING FORMING SOLUTIONS AND METHODS FOR APPLYING AND DETECTING THE SAME B/E Aerospace, Inc. (US) 2023-03-08 EP claimed
US-20230066357-A1 MULTIFUNCTIONAL BARRIER COATING FORMING SOLUTIONS AND METHODS FOR APPLYING AND DETECTING THE SAME B/E AEROSPACE, INC. 2023-03-02 US claimed
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
EP-3194546-B1 WHITENING COMPOSITION UNILEVER PLC NO 41424 (GB) 2019-09-04 EP claimed
US-20190233779-A1 UNITARY LAUNDRY DETERGENT ARTICLE THE PROCTER AND GAMBLE COMPANY 2019-08-01 US claimed
EP-1807496-A1 FABRIC CARE COMPOSITIONS COMPRISING HUEING DYE The Procter and Gamble Company (US) 2007-07-18 EP claimed
US-7235518-B2 Fabric care compositions comprising hueing dye THE PROCTER & GAMBLE COMPANY (US) 2007-06-26 US claimed
WO-2006087241-A1 MOULDED OBJECT EXHIBITING A POLYCHROMATIC EFFECT, ASSOCIATED LIGHT DEVICE AND RESIN ARKEMA FRANCE (FR) 2006-08-24 WO 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-20060034780-A1 Dental compositions and methods THE BOOTS COMPANY (GB) 2006-02-16 US claimed
EP-1542648-A1 DENTAL COMPOSITIONS AND METHODS The Boots Company PLC (GB) 2005-06-22 EP claimed
WO-2004028498-A1 DENTAL COMPOSITIONS AND METHODS THE BOOTS COMPANY PLC (GB) 2004-04-08 WO claimed
US-4271036-A Colorless formulations of optical brighteners from the series of bis-triazinylamino-stilbene-disulfonic acid compounds HOECHST AKTIENGESELLSCHAFT (DE) 1981-06-02 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-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-20060034780-A1 Dental compositions and methods DPY30, DSG1, ARSA CA12 1521/4885CA1 1072/4885CA2 237/4885

“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.