SCHEMBL4027043

SCHEMBL4027043

NC(=O)Nc1ccc(OP(=O)([O-])[O-])cc1.[Na+].[Na+]

nearest known ligand 0.53

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 19)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.41
CA2 known ✓ P00918 1/20 0.41
ALDH1A1 P00352 3/20 0.53
GLA P06280 1/20 0.53
HSD17B10 Q99714 1/20 0.50
PEPD P12955 1/20 0.50
NPC1 O15118 2/20 0.48
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
KIF11 P52732 5/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
TBXAS1 P24557 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3895540 0.84 ALDH1A1 (0.59) ALDH1A1GLAHSD17B10GAAMAPT
SCHEMBL3900754 0.82 ALDH1A1 (0.53) ALDH1A1GLAHSD17B10PEPDNPC1
SCHEMBL3905764 0.78 NPC1 (0.57) ALDH1A1GLAHSD17B10PEPDNPC1
SCHEMBL5062623 0.76 PEPD (0.80) ALDH1A1GLAHSD17B10PEPDNPC1
SCHEMBL360387 0.73 NPC1 (0.70) ALDH1A1GLAHSD17B10PEPDNPC1
SCHEMBL3726560 0.73 ALDH1A1 (0.59) ALDH1A1GLAHSD17B10PEPDNPC1
SCHEMBL2476390 0.73 GLA (0.69) ALDH1A1GLAHSD17B10PEPDNPC1
SCHEMBL11568493 0.70 ALDH1A1 (0.56) ALDH1A1GLAHSD17B10PEPDNPC1
SCHEMBL7823002 0.70 PEPD (0.77) ALDH1A1GLAHSD17B10PEPDNPC1
SCHEMBL5528916 0.70 SMN1; SMN2 (0.66) ALDH1A1HSD17B10NPC1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572459-B2 Prevention infections in humans, animals STARPHARMA PTY LTD. (AU) 2009-08-11 US disclosed
EP-1113806-B1 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS STARPHARMA PTY LTD (AU) 2007-09-05 EP disclosed
EP-0927217-B1 ANGIOGENIC INHIBITORY COMPOUNDS STARPHARMA PTY LTD (AU) 2006-05-03 EP disclosed
EP-1113805-A4 INHIBITION OF TOXIC MATERIALS OR SUBSTANCES USING DENDRIMERS STARPHARMA LTD (AU) 2004-05-19 EP disclosed
US-20030129158-A1 Anionic or cationic dendrimer antimicrobial or antiparasitic compositions STARPHARMA LIMITED 2003-07-10 US disclosed
EP-1113806-A4 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS STARPHARMA LTD (AU) 2003-06-25 EP disclosed
EP-0927217-A4 ANGIOGENIC INHIBITORY COMPOUNDS BIOMOLECULAR RES INST LTD (AU) 2003-04-23 EP disclosed
US-6464971-B1 ANIONIC-CONTAINING MOIETY IS A NEURAMINIC- OR SIALIC ACID-CONTAINING. MOIETY, IT IS MODIFIED IN THE 4-POSITION BY SUBSTITUTION WITH AN AMINO, AMIDO, CYANO, AZIDO OR GUANIDO GROUP, OR IS UNSATURATED. STARPHARMA LIMITED (AU) 2002-10-15 US disclosed
US-6426067-B1 CARDIOVASCULAR DISORDERS; ANTITUMOR AGENTS BIOMOLECULAR RESEARCH INSTITUTE, LTD. (AU) 2002-07-30 US disclosed
EP-1113805-A1 INHIBITION OF TOXIC MATERIALS OR SUBSTANCES USING DENDRIMERS Starpharma Limited (AU) 2001-07-11 EP disclosed
EP-1113806-A1 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS Starpharma Limited (AU) 2001-07-11 EP disclosed
WO-2000015240-A1 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS STARPHARMA LIMITED (AU) 2000-03-23 WO disclosed
WO-2000015239-A1 INHIBITION OF TOXIC MATERIALS OR SUBSTANCES USING DENDRIMERS STARPHARMA LIMITED (AU) 2000-03-23 WO disclosed
EP-0927217-A1 ANGIOGENIC INHIBITORY COMPOUNDS BIOMOLECULAR RESEARCH INSTITUTE LTD. (AU) 1999-07-07 EP disclosed
WO-1998003573-A1 ANGIOGENIC INHIBITORY COMPOUNDS BIOMOLECULAR RESEARCH INSTITUTE LTD. (AU) 1998-01-29 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-20030129158-A1 Anionic or cationic dendrimer antimicrobial or antiparasitic compositions FUT6, B3GNT2, SIGLEC7 CA1 2006/4885CA2 1974/4885ALDH1A1 2800/4885

“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.