SCHEMBL4989393

SCHEMBL4989393

O=C([O-])CNC(=O)c1c(O)nc(-c2c(Cl)cccc2Cl)n(Cc2ccc(-c3ccccc3)cc2)c1=O.O=C([O-])CNC(=O)c1c(O)nc(-c2c(Cl)cccc2Cl)n(Cc2ccc(-c3ccccc3)cc2)c1=O.[Na+].[Na+]

nearest known ligand 0.66

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 12)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 4/20 0.66
EGLN1 Q9GZT9 5/20 0.40
ALDH2 P05091 3/20 0.39
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
ITGB7 P26010 2/20 0.38
PTGES O14684 3/20 0.38
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36

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
SCHEMBL5000271 0.92 EGLN3 (0.78) EGLN3EGLN1EGLN2
SCHEMBL4989389 0.91 EGLN3 (0.77) EGLN3EGLN1EGLN2
SCHEMBL4996354 0.85 EGLN3 (0.80) EGLN3EGLN1EGLN2
SCHEMBL4988752 0.81 EGLN3 (0.48) EGLN3EGLN1ALDH1A1SMN1; SMN2
SCHEMBL4992365 0.81 EGLN3 (0.73) EGLN3EGLN1ALDH1A1SMN1; SMN2EGLN2
SCHEMBL4992707 0.80 EGLN3 (1.00) EGLN3EGLN1EGLN2
SCHEMBL4996324 0.79 EGLN3 (0.87) EGLN3EGLN1EGLN2
SCHEMBL4996305 0.79 EGLN3 (0.59) EGLN3EGLN1
SCHEMBL4738060 0.79 EGLN3 (0.65) EGLN3EGLN1
SCHEMBL4992247 0.77 EGLN3 (0.62) EGLN3EGLN1ALDH1A1SMN1; SMN2

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 3/4885EGLN1 5/4885ALDH2 864/4885

“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.