SCHEMBL93110

SCHEMBL93110

CCCCCCCCC(=O)Nc1nc(CC)cs1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.76
GAA P10253 2/20 0.55
POLB P06746 3/20 0.54
PDE1A P54750 1/20 0.52
PDE1B Q01064 1/20 0.52
PDE1C Q14123 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPT P10636 3/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HDAC1 Q13547 5/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48

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
SCHEMBL91408 0.99 PDE5A (0.74) PDE5AGAAPOLBPDE1APDE1B
SCHEMBL91499 0.88 GAA (0.68) PDE5AGAAPOLBCYP1A2CYP2C19
SCHEMBL1000799 0.88 PDE5A (0.79) PDE5AGAAPOLBPDE1APDE1B
SCHEMBL4685246 0.87 PDE5A (0.70) PDE5AGAAPOLBPDE1APDE1B
SCHEMBL10084854 0.86 PDE5A (0.57) PDE5AGAAPOLBPDE1APDE1B
SCHEMBL7759510 0.84 PDE5A (0.69) PDE5AGAAPOLBPDE1APDE1B
SCHEMBL7753534 0.84 PDE5A (0.69) PDE5AGAAPOLBPDE1APDE1B
SCHEMBL7961322 0.84 PDE5A (0.69) PDE5AGAAPOLBPDE1APDE1B
SCHEMBL7961319 0.84 PDE5A (0.69) PDE5AGAAPOLBPDE1APDE1B
SCHEMBL7753522 0.84 PDE5A (0.69) PDE5AGAAPOLBPDE1APDE1B

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 PDE5A 2389/4885GAA 677/4885POLB 4647/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 PDE5A 2041/4885GAA 679/4885POLB 4632/4885

“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.