SCHEMBL4988752

SCHEMBL4988752

O=C([O-])CNC(=O)c1c(O)nc(-c2cccc(Br)c2)n(Cc2ccccc2)c1=O.O=C([O-])CNC(=O)c1c(O)nc(-c2cccc(Br)c2)n(Cc2ccccc2)c1=O.[Na+].[Na+]

nearest known ligand 0.48

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
EGLN3 Q9H6Z9 2/20 0.48
CFTR P13569 1/20 0.44
EGLN1 Q9GZT9 11/20 0.42
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
F11 P03951 1/20 0.37

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
SCHEMBL4995854 0.92 EGLN3 (0.57) EGLN3CFTREGLN1
SCHEMBL4988756 0.91 EGLN3 (0.56) EGLN3CFTREGLN1
SCHEMBL4736985 0.86 EGLN3 (0.50) EGLN3CFTREGLN1ALDH1A1CYP1A2
SCHEMBL4996305 0.84 EGLN3 (0.59) EGLN3EGLN1
SCHEMBL4989393 0.81 EGLN3 (0.66) EGLN3EGLN1ALDH1A1SMN1; SMN2
SCHEMBL4992247 0.81 EGLN3 (0.62) EGLN3EGLN1ALDH1A1LMNARECQL
SCHEMBL4993734 0.80 EGLN3 (0.57) EGLN3EGLN1RAB9ASMN1; SMN2
SCHEMBL4994504 0.78 EGLN3 (0.57) EGLN3EGLN1POLB
SCHEMBL4997520 0.76 EGLN3 (0.59) EGLN3EGLN1
SCHEMBL4992207 0.76 EGLN3 (0.54) EGLN3EGLN1BCL2MCL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-07-17 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-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors HIF1AN, EGLN2, EGLN3 EGLN3 3/4885CFTR 3703/4885EGLN1 5/4885

“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.