SCHEMBL9277396

SCHEMBL9277396

CCOC(=O)N1CCN(C(=O)N2Cc3ccccc3C2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 4/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 1/20 0.48
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL6006612 0.73 KDM4E (0.50) L3MBTL1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL1295044 0.73 ALDH1A1 (0.64) L3MBTL1LMNAGAAKMT2APOLB
SCHEMBL5838878 0.72 SMN1; SMN2 (0.44) L3MBTL1LMNAGAAKMT2APOLB
SCHEMBL6677698 0.72 NOTUM (0.57) L3MBTL1LMNAGAAKMT2APOLB
SCHEMBL19410709 0.71 KDM4E (0.50) L3MBTL1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL31373871 0.71 KDM4E (0.59) L3MBTL1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL28253031 0.70 KDM4E (0.51) L3MBTL1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL28246630 0.70 SMN1; SMN2 (0.51) L3MBTL1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL23771943 0.70 KDM4E (0.51) L3MBTL1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL29814717 0.70 KDM4E (0.51) L3MBTL1LMNAGAAKMT2ASMN1; SMN2

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-9278982-B2 Targeting human thymidylate kinase induces DNA repair toxicity in malignant tumor cells NATIONAL YANG-MING UNIVERSITY (TW) 2016-03-08 US disclosed
US-20130252953-A1 Targeting Human Thymidylate Kinase Induces DNA Repair Toxicity in Malignant Tumor Cells NATIONAL YANG-MING UNIVERSITY (TW) 2013-09-26 US disclosed
WO-2012072019-A1 TARGETING HUMAN THYMIDYLATE KINASE INDUCES DNA REPAIR TOXICITY IN MALIGNANT TUMOR CELLS CHANG ZEE-FEN (CN) 2012-06-07 WO 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-20130252953-A1 Targeting Human Thymidylate Kinase Induces DNA Repair Toxicity in Malignant Tumor Cells DTYMK, TYMP, DCK L3MBTL1 579/4885LMNA 2937/4885GAA 1588/4885

“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.