SCHEMBL9279984

SCHEMBL9279984

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

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.71
ALDH1A1 P00352 1/20 0.71
LMNA P02545 1/20 0.71
MAPT P10636 1/20 0.71
MEN1 O00255 1/20 0.71
HRH2 P25021 1/20 0.64
HRH1 P35367 1/20 0.64
MGLL Q99685 4/20 0.60
FAAH O00519 3/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58

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
SCHEMBL8301729 0.90 MGLL (0.64) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL7009534 0.89 KMT2A (0.60) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL7392742 0.86 KMT2A (0.72) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL7007723 0.86 KMT2A (0.62) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3996605 0.86 MGLL (0.63) ALDH1A1MGLLFAAHCYP1A2CYP2D6
SCHEMBL1734128 0.86 MGLL (0.63) ALDH1A1MGLLFAAHCYP1A2CYP2D6
SCHEMBL18971917 0.84 CYP1A2 (0.57) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL9174650 0.84 KMT2A (0.55) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL4380521 0.84 MGLL (0.65) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL18424173 0.84 CYP1A2 (0.73) KMT2AALDH1A1MEN1MGLLFAAH

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-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
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 KMT2A 1960/4885SMN1; SMN2 4078/4885ALDH1A1 1837/4885

“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.