SCHEMBL6495039

SCHEMBL6495039

Cc1nnn(CCOc2c(S(C)(=O)=O)ccc(C(=O)Cl)c2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ENPP2 Q13822 1/20 0.32
ALDH1A1 P00352 4/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6480281 0.92 LMNA (0.35) LMNAHPGDHTTSMN1; SMN2ENPP2
SCHEMBL6492895 0.89 PTGS2 (0.37) LMNAHPGDHTTSMN1; SMN2ALDH1A1
SCHEMBL6492362 0.86 SMN1; SMN2 (0.38) LMNAHPGDHTTSMN1; SMN2ENPP2
SCHEMBL6479315 0.82 POLB (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6493539 0.81 MAPK1 (0.33) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL6491875 0.79 ENPP2 (0.38) ENPP2
SCHEMBL6480998 0.78 TP53 (0.36) LMNAALDH1A1TP53RAB9A
SCHEMBL6480978 0.77 LMNA (0.38) LMNAHPGDHTTSMN1; SMN2ALDH1A1
SCHEMBL27316212 0.77 THRB (0.36) HPGDHTTALDH1A1
SCHEMBL587521 0.76 SMN1; SMN2 (0.38) LMNAHPGDHTTSMN1; SMN2ALDH1A1

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 LMNA 4295/4885HPGD 4216/4885HTT 616/4885

“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.