SCHEMBL6079564

SCHEMBL6079564

O=C(Nc1ccc2ccc(S(=O)(=O)Nc3cccc(S(=O)(=O)[O-])c3)cc2c1)Nc1ccc2ccc(S(=O)(=O)Nc3cccc(S(=O)(=O)[O-])c3)cc2c1.[Na+].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 9)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.49
CA2 known ✓ P00918 1/20 0.49
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
AKR1C3 P42330 1/20 0.52
SIRT1 Q96EB6 1/20 0.51
PRMT1 Q99873 1/20 0.51
PKM P14618 1/20 0.51
IDH1 O75874 2/20 0.49

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
SCHEMBL6078872 1.00 MEN1 (0.54) MEN1KMT2AAKR1C3SIRT1PRMT1
SCHEMBL6078878 0.89 MEN1 (0.55) MEN1KMT2AAKR1C3PRMT1PKM
SCHEMBL6079410 0.89 MEN1 (0.55) MEN1KMT2AAKR1C3PRMT1PKM
SCHEMBL6078621 0.89 MEN1 (0.55) MEN1KMT2AAKR1C3PRMT1PKM
SCHEMBL6079569 0.89 MEN1 (0.55) MEN1KMT2AAKR1C3PRMT1PKM
SCHEMBL6078471 0.88 MEN1 (0.72) MEN1KMT2ACA1CA2
SCHEMBL6079560 0.88 MEN1 (0.54) MEN1KMT2AAKR1C3PRMT1PKM
SCHEMBL6078869 0.88 MEN1 (0.54) MEN1KMT2AAKR1C3PRMT1PKM
SCHEMBL10823626 0.86 PRMT1 (0.63) MEN1KMT2ASIRT1PRMT1CA1
SCHEMBL7630246 0.85 MEN1 (0.62) MEN1KMT2AAKR1C3PKMCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071231-B2 Naphthalene ureas as glucose uptake enhancers TELIK, INC. (US) 2006-07-04 US disclosed
EP-1181271-B1 NAPHTHALENE UREAS AS GLUCOSE UPTAKE ENHANCERS TELIK INC (US) 2005-01-19 EP disclosed
US-20030135063-A1 Novel naphthalene ureas as glucose uptake enhancers SPEVAK WAYNE R (US) 2003-07-17 US disclosed
US-6458998-B1 NAPHTHALENEUREAS AS ANTIDIABETIC AGENTS TELIK, INC. 2002-10-01 US disclosed
WO-2000071506-A9 NAPHTHALENE UREAS AS GLUCOSE UPTAKE ENHANCERS TELIK INC (US) 2001-09-20 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 (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-20030135063-A1 Novel naphthalene ureas as glucose uptake enhancers GPR119, SLC2A8, SLC2A1 CA1 4774/4885CA2 3016/4885MEN1 3696/4885

“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.