SCHEMBL2628412

SCHEMBL2628412

O=C(O)CCNC(=O)c1cccc(/N=N\c2ccc(O)c(C(=O)O)c2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 5/20 0.80
▸ NME4 O00746 3/20 0.80
▸ GCDH Q92947 3/20 0.80
▸ TDP1 Q9NUW8 3/20 0.80
▸ HRH3 Q9Y5N1 2/20 0.80
▸ ADORA3 P0DMS8 1/20 0.80
▸ CHRM1 P11229 1/20 0.80
▸ ADORA2A P29274 1/20 0.80
▸ AVPR2 P30518 1/20 0.80
▸ AGTR1 P30556 1/20 0.80
▸ SLC6A4 P31645 1/20 0.80
▸ AVPR1A P37288 1/20 0.80
▸ HTR3A P46098 1/20 0.80
▸ SLC29A1 Q99808 1/20 0.80
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ BLVRB P30043 2/20 0.55
▸ PDE4A P27815 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ HTT P42858 1/20 0.55

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
Balsalazide SCHEMBL29377041 0.89 SIRT5 (1.00) SIRT5NME4GCDHTDP1HRH3
Balsalazide SCHEMBL118300 0.89 SIRT5 (1.00) SIRT5NME4GCDHTDP1HRH3
Balsalazide SCHEMBL3267109 0.89 SIRT5 (1.00) SIRT5NME4GCDHTDP1HRH3
Balsalazide SCHEMBL138311 0.89 SIRT5 (1.00) SIRT5NME4GCDHTDP1HRH3
Balsalazide SCHEMBL28818120 0.88 SIRT5 (0.97) SIRT5NME4GCDHTDP1HRH3
Balsalazide SCHEMBL7908058 0.88 SIRT5 (0.97) SIRT5NME4GCDHTDP1HRH3
Balsalazide SCHEMBL5598491 0.88 SIRT5 (0.97) SIRT5NME4GCDHTDP1HRH3
Balsalazide SCHEMBL134019 0.88 SIRT5 (0.97) SIRT5NME4GCDHTDP1HRH3
SCHEMBL15951427 0.87 SIRT5 (0.61) SIRT5NME4GCDHTDP1HRH3
Balsalazide SCHEMBL133200 0.87 SIRT5 (0.95) SIRT5NME4GCDHTDP1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094963-A1 TARGETING PRODRUGS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES of Queen Elizabeth near Dublin 2012-04-19 — — US disclosed
US-20090082314-A1 Targeting Prodrugs for the Treatment of Gastrointestinal Diseases THE PROVOST FELLOWS AND SCHOLARS OF THE COLLEGE OF THE 2009-03-26 — — US disclosed
US-20090082314-A1 Targeting Prodrugs for the Treatment of Gastrointestinal Diseases THE PROVOST FELLOWS AND SCHOLARS OF THE COLLEGE OF THE 2009-03-26 — — 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-20090082314-A1 Targeting Prodrugs for the Treatment of Gastrointestinal Diseases SI, NFKBIA, RELA SIRT5 1967/4885NME4 781/4885GCDH 2220/4885
US-20120094963-A1 TARGETING PRODRUGS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES PTGS2, SI, PTGS1 SIRT5 1642/4885NME4 2138/4885GCDH 524/4885

“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.

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