SCHEMBL6337570

SCHEMBL6337570

CN(Cc1ccc2nc(N)nc(O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 9/20 0.77
▸ TYMS P04818 6/20 0.58
▸ KDM4E B2RXH2 1/20 0.57
▸ TLR4 O00206 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ GLA P06280 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ HMGB1 P09429 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ FOLR2 P14207 1/20 0.57
▸ FOLR1 P15328 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ ALOX12 P18054 1/20 0.57
▸ GART P22102 1/20 0.57
▸ APEX1 P27695 1/20 0.57
▸ CASP1 P29466 1/20 0.57

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
SCHEMBL15056952 0.92 DHFR (0.90) DHFRTYMSKDM4ETLR4MEN1
SCHEMBL6340352 0.92 DHFR (0.90) DHFRTYMSKDM4ETLR4MEN1
SCHEMBL10828707 0.86 DHFR (0.64) DHFRTYMSGARTATIC
SCHEMBL10828960 0.86 DHFR (0.78) DHFRTYMSATIC
SCHEMBL10829068 0.86 DHFR (0.64) DHFRTYMSGARTATIC
SCHEMBL14028320 0.86 DHFR (0.57) DHFRTYMSKDM4EALDH1A1HPGD
SCHEMBL10829048 0.86 DHFR (0.60) DHFRTYMS
SCHEMBL6579718 0.86 DHFR (0.78) DHFRTYMS
SCHEMBL10828939 0.85 DHFR (0.60) DHFRTYMSGARTATIC
SCHEMBL24413577 0.84 DHFR (0.77) DHFRTYMSKDM4ETLR4MEN1

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
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 — — US disclosed
US-6555663-B1 Pharmaceuticals which are activated intracellularly by reaction with cellular electron carriers or free radicals to cause release of a free and active drug molecule MILLS RANDELL LEE (US) 2003-04-29 — — US disclosed
EP-0414730-B1 Chemical Compounds and pharmaceutical compositions capable of releasing a drug MILLS RANDELL L (US) 1999-12-15 — — EP disclosed
US-5428163-A Luminides; chemiluminescence; redox system, releasing free drug MILLS RANDELL L (US) 1995-06-27 — — 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 (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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD DHFR 131/4885TYMS 2358/4885KDM4E 3072/4885

“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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