SCHEMBL4885970

SCHEMBL4885970

O=C1OCCN1c1cc(F)cc(F)c1.[N-]=[N+]=N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.35
ALOX5 P09917 1/20 0.33
BACE1 P56817 1/20 0.32
TNKS O95271 1/20 0.32
ELOVL6 Q9H5J4 1/20 0.32
MAP2K1 Q02750 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
NAAA Q02083 2/20 0.32
IDH1 O75874 2/20 0.31
PER2 O15055 1/20 0.31
CRY2 Q49AN0 1/20 0.31
KDM1A O60341 3/20 0.31
MAOA P21397 3/20 0.31
MAOB P27338 3/20 0.31
RCOR1 Q9UKL0 3/20 0.31
KDM1B Q8NB78 2/20 0.31
PARP1 P09874 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL30980973 0.80 PIK3CD (0.39) EGLN2ALOX5BACE1TNKSNAAA
SCHEMBL3587464 0.77 PSEN1 (0.38) EGLN2ELOVL6MTORCMA1CCR6
SCHEMBL30669251 0.74 FADS1 (0.50) ALOX5BACE1NAAAKDM1AMAOA
SCHEMBL3927618 0.73 EGLN2 (0.36) EGLN2TNKSELOVL6PIK3CAMTOR
SCHEMBL6099462 0.73 TNKS (0.45) TNKSELOVL6NAAAKDM1AMAOA
SCHEMBL26298453 0.72 EGLN2 (0.40) EGLN2TNKSMAP2K1PIK3CAMTOR
SCHEMBL30980936 0.72 DRD2 (0.40) IDH1PER2CRY2CMA1
SCHEMBL11595049 0.71 IDH1 (0.40) EGLN2TNKSMAP2K1IDH1CMA1
SCHEMBL5486378 0.71 PRKAG1 (0.40) EGLN2TNKSMAP2K1NAAAIDH1
SCHEMBL13167926 0.69 HSP90AA1 (0.39) EGLN2TNKSPIK3CAMTORIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same BioVersys AG (CH) 2008-05-22 US disclosed
US-7335753-B2 Bifunctional heterocyclic compounds and methods of making and using same RIB-X PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20060264385-A1 Bifunctional heterocyclic compounds and methods of making and using same BioVersys AG (CH) 2006-11-23 US disclosed
US-7091196-B2 Bifunctional heterocyclic compounds and methods of making and using same RIB-X PHARMACEUTICALS, INC. (US) 2006-08-15 US disclosed
US-20050197334-A1 Bifunctional heterocyclic compounds and methods of making and using same BioVersys AG (CH) 2005-09-08 US disclosed
EP-1543017-A2 BIFUNCTIONAL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Rib-X Pharmaceuticals, Inc. (US) 2005-06-22 EP disclosed
WO-2004029066-A2 BIFUNCTIONAL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME RIB-X PHARMACEUTICALS, INC. (US) 2004-04-08 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 (3 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-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same PCNA, DCX, ATIC EGLN2 2273/4885ALOX5 392/4885BACE1 4140/4885
US-20060264385-A1 Bifunctional heterocyclic compounds and methods of making and using same PCNA, DCX, ATIC EGLN2 2273/4885ALOX5 392/4885BACE1 4140/4885
US-20050197334-A1 Bifunctional heterocyclic compounds and methods of making and using same PCNA, DCX, ATIC EGLN2 2273/4885ALOX5 392/4885BACE1 4140/4885

“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.