SCHEMBL4409511

SCHEMBL4409511

O=S(=O)([O-])c1cc(Nc2nc(Cl)nc(Nc3ccccc3)n2)c2c(O)c(/N=N/c3ccccc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+]

nearest known ligand 0.72

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
P2RY4 known ✓ P51582 5/20 0.41
THRB known ✓ P10828 2/20 0.41
CA12 known ✓ O43570 2/20 0.41
CA1 known ✓ P00915 2/20 0.41
CA2 known ✓ P00918 2/20 0.41
P2RY2 known ✓ P41231 4/20 0.40
P2RY6 known ✓ Q15077 3/20 0.40
P2RY12 known ✓ Q9H244 3/20 0.40
P2RY1 known ✓ P47900 1/20 0.37
FUT8 Q9BYC5 2/20 0.72
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 2/20 0.49
GRK2 P25098 1/20 0.49
PLEC Q15149 1/20 0.49
CARM1 Q86X55 1/20 0.47
PRMT1 Q99873 1/20 0.47
USP2 O75604 2/20 0.43
PTPN1 P18031 1/20 0.43
ATM Q13315 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
SCHEMBL4409516 1.00 FUT8 (0.72) FUT8MEN1KMT2APOLBGRK2
SCHEMBL29393807 1.00 FUT8 (0.72) FUT8MEN1KMT2APOLBGRK2
SCHEMBL29663889 0.94 FUT8 (0.67) FUT8MEN1KMT2APOLBGRK2
SCHEMBL29385652 0.88 FUT8 (0.58) FUT8MEN1KMT2APOLBGRK2
SCHEMBL30710564 0.88 FUT8 (0.67) FUT8MEN1KMT2APOLBGRK2
SCHEMBL14529440 0.86 FUT8 (0.95) FUT8MEN1KMT2APRMT1USP2
SCHEMBL30065554 0.86 FUT8 (0.95) FUT8MEN1KMT2APRMT1USP2
SCHEMBL6808069 0.86 FUT8 (0.56) FUT8MEN1KMT2APOLBGRK2
SCHEMBL29385758 0.86 FUT8 (0.56) FUT8MEN1KMT2APOLBGRK2
SCHEMBL37767 0.84 FUT8 (0.56) FUT8MEN1KMT2APOLBGRK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294370-B2 Polarizing and optical compensating films for visible, ultraviolet and infrared parts of the electromagnetic spectrum KENT STATE UNIVERSITY (US) 2007-11-13 US claimed
US-9150788-B2 Non-amphiphile-based water-in-water emulsion and uses thereof SYRACUSE UNIVERSITY (US) 2015-10-06 US disclosed
US-20090269323-A1 NON-AMPHIPHILE-BASED WATER-IN-WATER EMULSION AND USES THEREOF SYRACUSE UNIVERSITY TECHNOLOGY TRANSFER AND INDUSTRIAL DEVELOPMENT OFFICE (US) 2009-10-29 US disclosed
US-7294370-B2 Polarizing and optical compensating films for visible, ultraviolet and infrared parts of the electromagnetic spectrum KENT STATE UNIVERSITY (US) 2007-11-13 US 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 (1 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-20090269323-A1 NON-AMPHIPHILE-BASED WATER-IN-WATER EMULSION AND USES THEREOF FRG1, MAFG, AREG P2RY4 3682/4885THRB 4714/4885CA12 47/4885

“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.