SCHEMBL6490870

SCHEMBL6490870

O=C(O)c1ccc(Br)c(OCCn2cnnn2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.39
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
HMOX1 P09601 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LTB4R Q15722 1/20 0.33
MAPK1 P28482 1/20 0.33
LTA4H P09960 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
STAT5B P51692 1/20 0.33
ALPG P10696 1/20 0.32

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
SCHEMBL6489001 0.89 TP53 (0.36) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL6481376 0.86 GAA (0.45) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL6493708 0.82 MAPK1 (0.33) TP53KMT2AMAPTRAB9ALMNA
SCHEMBL6490299 0.79 TP53 (0.33) TP53MAPTRAB9ALMNAGAA
SCHEMBL6482844 0.78 POLB (0.32) POLB
SCHEMBL587146 0.78 MAPK1 (0.43) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL6492515 0.78 MAPK1 (0.31) ALDH1A1MAPK1
SCHEMBL587534 0.76 MAPK1 (0.41) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL6481232 0.76 HMOX1 (0.38) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL6489720 0.75 TP53 (0.35) TP53MAPTRAB9ALMNAGAA

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-20050090398-A1 Novel tetrazole derivative useful as herbicides YANAGI AKIHIKO (JP) 2005-04-28 US disclosed
EP-1476437-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES Bayer CropScience AG (DE) 2004-11-17 EP disclosed
WO-2003066607-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-14 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-20050090398-A1 Novel tetrazole derivative useful as herbicides DDT, TTI1, CYP1A1 TP53 1908/4885ALDH1A1 533/4885MEN1 2766/4885

“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.