SCHEMBL17010238

SCHEMBL17010238

O=C(Nc1c([O-])[nH]c(=O)[nH]c1=O)c1ccc(O)cc1.[Na+]

nearest known ligand 0.44

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
XDH known ✓ P47989 5/20 0.44
CA1 known ✓ P00915 1/20 0.37
CA2 known ✓ P00918 1/20 0.37
SLC22A12 Q96S37 5/20 0.44
NQO2 P16083 2/20 0.41
MPO P05164 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM5A P29375 1/20 0.39
BLM P54132 1/20 0.39
GFER P55789 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
DEGS1 O15121 2/20 0.38
SNCA P37840 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL17010264 0.83 XDH (0.55) XDHSLC22A12NQO2MPOCYP3A4
SCHEMBL27741350 0.67 KMT2A (0.47) SLC22A12MEN1KMT2AMAPTTDP1
SCHEMBL20179663 0.66 XDH (0.42) XDHSLC22A12MPOCYP3A4KDM5A
SCHEMBL899585 0.64 DEGS1 (0.75) NQO2DEGS1SNCAMEN1KMT2A
SCHEMBL8420639 0.64 DEGS1 (0.75) NQO2DEGS1SNCAMEN1KMT2A
SCHEMBL900928 0.64 DEGS1 (0.75) NQO2DEGS1SNCAMEN1KMT2A
SCHEMBL22381442 0.64 XDH (0.44) XDHSLC22A12MEN1KMT2AMAPT
SCHEMBL9522743 0.63 S1PR4 (0.58) NQO2MPOCYP3A4KDM5ABLM
SCHEMBL16700088 0.62 XDH (1.00) XDHSLC22A12MEN1KMT2AMAPT
SCHEMBL17010275 0.62 XDH (0.55) XDHSLC22A12MEN1KMT2AMAPT

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-10093631-B2 Bifunctional compounds and use for reducing uric acid levels ACQUIST LLC (US) 2018-10-09 US disclosed
US-20170197923-A1 Bifunctional Compounds and Use for Reducing Uric Acid Levels ACQUIST LLC 2017-07-13 US disclosed
EP-3104861-A1 BIFUNCTIONAL COMPOUNDS AND USE FOR REDUCING URIC ACID LEVELS Warrell, Raymond P., Jr. (US) 2016-12-21 EP disclosed
WO-2015123003-A1 BIFUNCTIONAL COMPOUNDS AND USE FOR REDUCING URIC ACID LEVELS WARRELL RAYMOND P (US) 2015-08-20 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 (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-20170197923-A1 Bifunctional Compounds and Use for Reducing Uric Acid Levels XDH, OAT, ATIC XDH 1/4885CA1 2135/4885CA2 2188/4885
US-10093631-B2 Bifunctional compounds and use for reducing uric acid levels XDH, OAT, ATIC XDH 1/4885CA1 2135/4885CA2 2188/4885

“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.