SCHEMBL8711841

SCHEMBL8711841

CN(C)CCNC(=O)c1cccc2cc3ccccc3nc12.NC(=O)c1cccc2cc3ccccc3nc12

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.71
RAD52 P43351 7/20 0.63
UHRF1 Q96T88 2/20 0.60
SMARCA2 P51531 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
PARP1 P09874 1/20 0.55
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 1/20 0.48
POLR1A O95602 2/20 0.48
ECE1 P42892 1/20 0.48
MUS81 Q96NY9 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CHEK1 O14757 1/20 0.47
HTT P42858 1/20 0.47
HTR2C P28335 1/20 0.46
MOK Q9UQ07 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
SCHEMBL105276 0.94 AOX1 (0.78) AOX1RAD52UHRF1SMARCA2HDAC1
SCHEMBL29369424 0.94 AOX1 (0.78) AOX1RAD52UHRF1SMARCA2HDAC1
Hydrochloric Acid SCHEMBL29608361 0.93 AOX1 (0.77) AOX1RAD52UHRF1SMARCA2HDAC1
Hydrochloric Acid SCHEMBL4888175 0.93 AOX1 (0.77) AOX1RAD52UHRF1SMARCA2HDAC1
Hydrochloric Acid SCHEMBL5953779 0.92 AOX1 (0.75) AOX1RAD52UHRF1SMARCA2HDAC1
SCHEMBL27874410 0.86 RAD52 (0.74) AOX1RAD52UHRF1SMARCA2PARP1
SCHEMBL7023521 0.83 AOX1 (0.69) AOX1RAD52UHRF1SMARCA2HDAC1
SCHEMBL7032809 0.83 AOX1 (0.69) AOX1RAD52UHRF1SMARCA2HDAC1
SCHEMBL2447168 0.82 KDM4E (0.69) AOX1RAD52UHRF1SMARCA2HDAC1
SCHEMBL7566347 0.82 HDAC1 (0.67) AOX1RAD52UHRF1SMARCA2HDAC1

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-20160106743-A1 TOPOISOMERASE II POISONS AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF ROCHESTER (US) 2016-04-21 US claimed
US-20160106743-A1 TOPOISOMERASE II POISONS AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF ROCHESTER (US) 2016-04-21 US disclosed
WO-1998045272-A1 TOPOISOMERASE INHIBITORS LATROBE UNIVERSITY (AU) 1998-10-15 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-20160106743-A1 TOPOISOMERASE II POISONS AND METHODS OF MAKING AND USING SAME TOP2A, TOP2B, TOP1 AOX1 724/4885RAD52 85/4885UHRF1 2016/4885

“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.