SCHEMBL6490664

SCHEMBL6490664

COC(=O)c1ccc(Cl)c(Cn2nnc(C)n2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 4/20 0.38
ENPP2 Q13822 9/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS2 P35354 1/20 0.35
KMT2A Q03164 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL6490236 0.86 ENPP2 (0.37) ENPP2NPC1RAB9AALDH1A1
SCHEMBL6481065 0.86 MYC (0.37) BUB1ENPP2NPC1RAB9AL3MBTL1
SCHEMBL6481463 0.85 ENPP2 (0.36) ENPP2NPC1RAB9AL3MBTL1MAPT
SCHEMBL6482084 0.82 ENPP2 (0.34) BUB1ENPP2NPC1RAB9A
SCHEMBL6489730 0.79 POLB (0.39) BUB1NPC1RAB9AL3MBTL1MAPT
SCHEMBL6480430 0.78 P2RX7 (0.40) BUB1NPC1RAB9AL3MBTL1MAPT
SCHEMBL16399718 0.78 ENPP2 (0.52) ENPP2
SCHEMBL6489698 0.77 ENPP2 (0.37) ENPP2
SCHEMBL6489376 0.74 TP53 (0.43) BUB1NPC1RAB9AMAPTALDH1A1
SCHEMBL8818300 0.72 HDAC1 (0.43) MAPTKMT2AMEN1

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 BUB1 1179/4885ENPP2 3742/4885NPC1 4818/4885

“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.