SCHEMBL18106226

SCHEMBL18106226

O=C1NC2NC(=O)N(CCCl)C2N1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.64
ABL1 P00519 3/20 0.64
RIN1 Q13671 3/20 0.64
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.42
HTT P42858 2/20 0.37
GAA P10253 2/20 0.36
PKM P14618 1/20 0.31
SIRT5 Q9NXA8 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
SCHEMBL11145933 0.88 TDP1 (0.72) TDP1ABL1RIN1KDM4EKMT2A
SCHEMBL18106287 0.84 TDP1 (0.58) TDP1ABL1RIN1KDM4EKMT2A
SCHEMBL18106282 0.81 TDP1 (0.64) TDP1ABL1RIN1KDM4EKMT2A
SCHEMBL18106301 0.78 TDP1 (0.70) TDP1ABL1RIN1KDM4EKMT2A
SCHEMBL924239 0.76 TDP1 (0.58) TDP1ABL1RIN1KDM4EKMT2A
SCHEMBL18106267 0.76 TDP1 (0.58) TDP1ABL1RIN1KDM4EKMT2A
SCHEMBL192058 0.76 TDP1 (0.68) TDP1ABL1RIN1KDM4EKMT2A
SCHEMBL723098 0.72 TDP1 (0.57) TDP1ABL1RIN1KDM4EKMT2A
SCHEMBL5133361 0.72 TDP1 (0.53) TDP1ABL1RIN1KDM4EKMT2A
SCHEMBL725117 0.69 TDP1 (0.54) TDP1ABL1RIN1KDM4EKMT2A

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-3075736-B1 MERCAPTOALKYL GLYCOLURILS AND USE OF SAME SHIKOKU CHEM (JP) 2018-08-22 EP disclosed
US-10030023-B2 Mercaptoalkylglycolurils and use of same SHIKOKU CHEMICALS CORPORATION (JP) 2018-07-24 US disclosed
US-20160289237-A1 MERCAPTOALKYLGLYCOLURILS AND USE OF SAME SHIKOKU CHEMICALS CORPORATION (JP) 2016-10-06 US disclosed
EP-3075736-A1 MERCAPTOALKYL GLYCOLURILS AND USE OF SAME Shikoku Chemicals Corporation (JP) 2016-10-05 EP 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-20160289237-A1 MERCAPTOALKYLGLYCOLURILS AND USE OF SAME CYSLTR1, MGMT, CYSLTR2 TDP1 4571/4885ABL1 951/4885RIN1 2207/4885
US-10030023-B2 Mercaptoalkylglycolurils and use of same CYSLTR1, MGMT, CYSLTR2 TDP1 4571/4885ABL1 951/4885RIN1 2207/4885

“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.