SCHEMBL5485638

SCHEMBL5485638

CC1=C(N2CC2)C(=O)C=C(N2CC2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
HTT P42858 2/20 0.61
TP53 P04637 1/20 0.61
STAT3 P40763 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
DNMT1 P26358 1/20 0.46
NSD2 O96028 5/20 0.38
TDP2 O95551 4/20 0.38
APAF1 O14727 3/20 0.38
HKDC1 Q2TB90 3/20 0.38
KMT2A Q03164 3/20 0.36
ATG4B Q9Y4P1 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GALK1 P51570 2/20 0.36
BLM P54132 2/20 0.36
ATM Q13315 1/20 0.36
NOD2 Q9HC29 1/20 0.36

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
Triaziquone SCHEMBL8303 0.86 DNMT1 (0.48) MAPTHTTTP53STAT3SMN1; SMN2
Triaziquone SCHEMBL7783197 0.85 MAPT (0.46) MAPTHTTTP53STAT3SMN1; SMN2
Triaziquone SCHEMBL149876 0.85 MAPT (0.46) MAPTHTTTP53STAT3SMN1; SMN2
Triaziquone SCHEMBL5054475 0.84 DNMT1 (0.47) MAPTHTTTP53STAT3SMN1; SMN2
Triaziquone SCHEMBL1538515 0.84 DNMT1 (0.47) MAPTHTTTP53STAT3SMN1; SMN2
Triaziquone SCHEMBL3101456 0.84 DNMT1 (0.47) MAPTHTTTP53STAT3SMN1; SMN2
Triaziquone SCHEMBL8993238 0.84 DNMT1 (0.47) MAPTHTTTP53STAT3SMN1; SMN2
Triaziquone SCHEMBL6000230 0.84 DNMT1 (0.47) MAPTHTTTP53STAT3SMN1; SMN2
Triaziquone SCHEMBL8482641 0.84 DNMT1 (0.47) MAPTHTTTP53STAT3SMN1; SMN2
Triaziquone SCHEMBL7738777 0.84 DNMT1 (0.47) MAPTHTTTP53STAT3SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203109-A1 Compounds And Compositions For Treatment Of Cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-08-30 US disclosed
US-6156744-A DT-diaphorase directed anti-tumor agents CANCER RESEARCH CAMPAIGN TECH (LONDON) 2000-12-05 US disclosed
EP-0993304-A1 PHARMACEUTICAL COMPOSITION HAVING ENHANCED ANTITUMOR ACTIVITY AND/OR REDUCED SIDE EFFECTS, CONTAINING AN ANTITUMOR AGENT AND AN HYDROXAMIC ACID DERIVATIVE N-Gene Research Laboratories Inc. (US) 2000-04-19 EP disclosed
WO-1998058676-A1 PHARMACEUTICAL COMPOSITION HAVING ENHANCED ANTITUMOR ACTIVITY AND/OR REDUCED SIDE EFFECTS, CONTAINING AN ANTITUMOR AGENT AND AN HYDROXAMIC ACID DERIVATIVE N-GENE RESEARCH LABORATORIES INC. (US) 1998-12-30 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-20070203109-A1 Compounds And Compositions For Treatment Of Cancer RB1, EHMT1, TP53 MAPT 4760/4885HTT 1378/4885TP53 3/4885

“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.