SCHEMBL1841307

SCHEMBL1841307

Cc1ncnc(C(=O)[O-])c1N.[Na+]

nearest known ligand 0.37

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 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
KMO O15229 1/20 0.30

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
SCHEMBL1841306 0.78 KDM4E (0.46) KDM4EKMT2AKMO
SCHEMBL31266901 0.78 CA1 (0.30)
SCHEMBL31266902 0.78 CA1 (0.30)
SCHEMBL21542758 0.72 FFAR2 (0.35) KDM4EKMT2A
SCHEMBL31504047 0.68 KMO (0.38) KDM4EKMT2AKMO
SCHEMBL18520119 0.68
SCHEMBL13403365 0.65
Potassium Ion SCHEMBL21818832 0.63 LIMK1 (0.44)
Lithium Ion SCHEMBL28621579 0.63 NTRK1 (0.33)
SCHEMBL18519961 0.63 CHEK1 (0.41) KDM4EKMT2A

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
EP-1373210-B1 HETEROCYCLIC DIAMIDE INVERTEBRATE PEST CONTROL AGENTS DU PONT (US) 2011-05-18 EP disclosed
US-7560564-B2 Heterocyclic diamide invertebrate pest control agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-14 US disclosed
US-20060205748-A1 Heterocyclic diamide invertebrate pest control agents ANNIS GARY D 2006-09-14 US disclosed
US-20040102324-A1 Heterocyclic diamide invertebrate pest control agents E.I. DU PONT DE NEMOURS AND COMPANY 2004-05-27 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 (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-20060205748-A1 Heterocyclic diamide invertebrate pest control agents DDT, DBF4, C1S KDM4E 1378/4885KMT2A 1801/4885KMO 249/4885
US-20040102324-A1 Heterocyclic diamide invertebrate pest control agents DDT, DBF4, DDC KDM4E 835/4885KMT2A 1777/4885KMO 158/4885

“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.