SCHEMBL6483369

SCHEMBL6483369

O=C(Cl)c1ccc(Br)c(Cn2cnnn2)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HMOX1 P09601 1/20 0.35
TP53 P04637 3/20 0.34
ALPG P10696 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 2/20 0.32
ALOX12 P18054 1/20 0.32
RECQL P46063 1/20 0.32
HBB P68871 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F10 P00742 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL6481232 0.88 HMOX1 (0.38) ALDH1A1HMOX1TP53ALPGMEN1
SCHEMBL6493030 0.83 TP53 (0.43) ALDH1A1TP53MEN1KMT2ACYP1A2
SCHEMBL6481316 0.77 MAPK1 (0.41) ALDH1A1HMOX1TP53ALPGMEN1
SCHEMBL6489001 0.76 TP53 (0.36) ALDH1A1HMOX1TP53ALPGMEN1
SCHEMBL6494365 0.76 POLB (0.34) POLBF10
SCHEMBL6492717 0.69 MAPK1 (0.41) ALDH1A1HMOX1TP53ALPGMEN1
SCHEMBL6998217 0.65 KMT2A (0.63) ALDH1A1TP53MEN1KMT2AMAPK1
SCHEMBL6489376 0.65 TP53 (0.43) ALDH1A1TP53MEN1KMT2AMAPK1
SCHEMBL11815709 0.65 ALDH1A1 (0.37) ALDH1A1ALOX15
SCHEMBL708243 0.65 KDM4E (0.51) ALDH1A1HMOX1MEN1KMT2AMAPK1

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 ALDH1A1 533/4885HMOX1 3657/4885TP53 1908/4885

“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.