SCHEMBL91393

SCHEMBL91393

CCc1csc(NC(=O)NCCc2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.64
ROCK1 Q13464 3/20 0.64
MMP3 P08254 3/20 0.55
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ATG4B Q9Y4P1 1/20 0.49
TP53 P04637 1/20 0.49
HIF1A Q16665 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
EPHX1 P07099 2/20 0.47
CNR1 P21554 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL91535 0.88 MAPT (0.51) ROCK2ROCK1LMNAMAPTNPC1
SCHEMBL91397 0.87 ROCK2 (0.62) ROCK2ROCK1MMP3LMNATP53
SCHEMBL91577 0.86 CNR1 (0.56) ROCK2ROCK1LMNAMAPTNPC1
SCHEMBL91611 0.86 FPR2 (0.55) ROCK2ROCK1LMNAMAPTRAB9A
SCHEMBL10085259 0.85 RAB9A (0.52) LMNAMAPTNPC1RAB9AMEN1
SCHEMBL91525 0.83 LMNA (0.70) ROCK2ROCK1LMNAMAPTNPC1
SCHEMBL91380 0.82 TRPV1 (0.48) ROCK2ROCK1LMNAMAPTNPC1
SCHEMBL10084284 0.82 MEN1 (0.67) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL77064 0.81 KMT2A (0.70) ROCK2ROCK1MMP3LMNAMAPT
SCHEMBL10084544 0.80 LMNA (0.71) ROCK1LMNAMAPTNPC1RAB9A

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 4 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-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-11-26 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 (2 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 ROCK2 2794/4885ROCK1 2709/4885MMP3 2366/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 ROCK2 2884/4885ROCK1 2738/4885MMP3 2442/4885

“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.