SCHEMBL17782866

SCHEMBL17782866

O=C(Cn1sc2ncccc2c1=O)N1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 2/20 0.66
KAT2B Q92831 9/20 0.51
TGM2 P21980 3/20 0.50
EP300 Q09472 3/20 0.49
CREBBP Q92793 3/20 0.49
KAT2A Q92830 3/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
LIPG Q9Y5X9 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
SCHEMBL18897799 0.83 DTYMK (0.77) DTYMKKAT2BTGM2EP300CREBBP
SCHEMBL17782895 0.80 DTYMK (1.00) DTYMKKAT2BTGM2EP300CREBBP
SCHEMBL9278726 0.80 DTYMK (0.63) DTYMKKAT2BKAT2A
SCHEMBL18897747 0.79 DTYMK (0.70) DTYMKKAT2BTGM2EP300CREBBP
SCHEMBL17790400 0.78 DTYMK (0.71) DTYMKKAT2BTGM2EP300CREBBP
SCHEMBL17782929 0.77 DTYMK (0.58) DTYMKKAT2BTGM2EP300CREBBP
SCHEMBL11034977 0.75 GAA (0.46) DTYMK
SCHEMBL17782869 0.74 DTYMK (0.63) DTYMKKAT2BTGM2
SCHEMBL21996011 0.74 KAT2B (0.66) DTYMKKAT2BEP300CREBBPKAT2A
SCHEMBL22056077 0.74 KAT2B (0.69) DTYMKKAT2BEP300CREBBPKAT2A

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 4241/4885TGM2 822/4885

“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.