SCHEMBL17782869

SCHEMBL17782869

O=C(Cn1sc2ncccc2c1=O)N1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.63
KAT2B Q92831 1/20 0.49
MGLL Q99685 3/20 0.46
TGM2 P21980 1/20 0.45
KMT2A Q03164 1/20 0.45
FAAH O00519 2/20 0.43

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
SCHEMBL9281766 0.85 DTYMK (0.60) DTYMKMGLLFAAH
SCHEMBL18897747 0.81 DTYMK (0.70) DTYMKKAT2BTGM2
SCHEMBL17790400 0.80 DTYMK (0.71) DTYMKKAT2BTGM2
SCHEMBL17782905 0.78 DTYMK (0.45) DTYMKKAT2BMGLLKMT2AFAAH
SCHEMBL17782895 0.77 DTYMK (1.00) DTYMKKAT2BTGM2
SCHEMBL17782900 0.76 DTYMK (0.55) DTYMKMGLLKMT2A
SCHEMBL17782866 0.74 DTYMK (0.66) DTYMKKAT2BTGM2
SCHEMBL1734128 0.70 MGLL (0.63) MGLLFAAH
SCHEMBL31213042 0.69 TRPA1 (0.54) MGLLFAAH
SCHEMBL17782929 0.69 DTYMK (0.58) DTYMKKAT2BTGM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9662328-B2 Targeting human thymidylate kinase induces DNA repair toxicity in malignant tumor cells NATIONAL TAIWAN UNIVERSITY (TW) 2017-05-30 US disclosed
US-9662328-B2 Targeting human thymidylate kinase induces DNA repair toxicity in malignant tumor cells NATIONAL TAIWAN UNIVERSITY (TW) 2017-05-30 US disclosed
US-9662328-B2 Targeting human thymidylate kinase induces DNA repair toxicity in malignant tumor cells NATIONAL TAIWAN UNIVERSITY (TW) 2017-05-30 US disclosed
US-20160151362-A1 TARGETING HUMAN THYMIDYLATE KINASE INDUCES DNA REPAIR TOXICITY IN MALIGNANT TUMOR CELLS NATIONAL TAIWAN UNIVERSITY (TW) 2016-06-02 US disclosed
US-20160151362-A1 TARGETING HUMAN THYMIDYLATE KINASE INDUCES DNA REPAIR TOXICITY IN MALIGNANT TUMOR CELLS NATIONAL TAIWAN UNIVERSITY (TW) 2016-06-02 US disclosed
US-20160151362-A1 TARGETING HUMAN THYMIDYLATE KINASE INDUCES DNA REPAIR TOXICITY IN MALIGNANT TUMOR CELLS NATIONAL TAIWAN UNIVERSITY (TW) 2016-06-02 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-20160151362-A1 TARGETING HUMAN THYMIDYLATE KINASE INDUCES DNA REPAIR TOXICITY IN MALIGNANT TUMOR CELLS DTYMK, TYMP, TK1 DTYMK 1/4885KAT2B 4241/4885MGLL 3549/4885

“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.