SCHEMBL91380

SCHEMBL91380

CCc1csc(NC(=O)NCCc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.48
LMNA P02545 4/20 0.47
RAF1 P04049 1/20 0.46
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
NR1I3 Q14994 2/20 0.42
ABL1 P00519 1/20 0.42
CNR1 P21554 2/20 0.41
AOC3 Q16853 2/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL91577 0.86 CNR1 (0.56) LMNAROCK2ROCK1MAPTSMN1; SMN2
SCHEMBL77328 0.83 NPC1 (0.50) TRPV1LMNARAF1ROCK2ROCK1
SCHEMBL91535 0.83 MAPT (0.51) LMNAROCK2ROCK1MAPTSMN1; SMN2
SCHEMBL91393 0.82 ROCK2 (0.64) LMNAROCK2ROCK1MAPTSMN1; SMN2
SCHEMBL91505 0.81 CNR1 (0.57) LMNAROCK2ROCK1MAPTSMN1; SMN2
SCHEMBL91611 0.81 FPR2 (0.55) TRPV1LMNAROCK2ROCK1MAPT
SCHEMBL3650716 0.81 ROCK1 (0.46) TRPV1ROCK2ROCK1MAPTAOC3
SCHEMBL353373 0.79 ROCK1 (0.47) TRPV1ROCK2ROCK1MAPTSMN1; SMN2
SCHEMBL4726384 0.79 SCD (0.53) TRPV1ROCK2ROCK1
SCHEMBL353214 0.79 ROCK1 (0.48) TRPV1ROCK2ROCK1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 US 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-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 TRPV1 4205/4885LMNA 2321/4885RAF1 1958/4885

“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.