SCHEMBL4685246

SCHEMBL4685246

CCCCCC(=O)Nc1nc(CCl)cs1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.70
KMT2A Q03164 6/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
GAA P10253 3/20 0.54
POLB P06746 3/20 0.53
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPT P10636 4/20 0.48
HTT P42858 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 5/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL9836846 0.96 PDE5A (0.64) PDE5AKMT2ASMN1; SMN2GAAPOLB
SCHEMBL9835391 0.90 SMN1; SMN2 (0.68) PDE5AKMT2ASMN1; SMN2GAAPOLB
SCHEMBL91408 0.89 PDE5A (0.74) PDE5AKMT2ASMN1; SMN2GAAPOLB
SCHEMBL93110 0.87 PDE5A (0.76) PDE5AKMT2ASMN1; SMN2GAAPOLB
SCHEMBL9677782 0.84 SMN1; SMN2 (0.71) PDE5AKMT2ASMN1; SMN2GAAPOLB
SCHEMBL1000799 0.84 PDE5A (0.79) PDE5AKMT2AGAAPOLBCYP1A2
SCHEMBL20935220 0.83 PDE5A (0.66) PDE5AKMT2ASMN1; SMN2GAAPOLB
SCHEMBL10084854 0.82 PDE5A (0.57) PDE5AKMT2ASMN1; SMN2GAAPOLB
SCHEMBL8478547 0.81 SMN1; SMN2 (0.62) PDE5AKMT2ASMN1; SMN2GAAPOLB
SCHEMBL9835472 0.81 KMT2A (0.62) PDE5AKMT2ASMN1; SMN2GAAPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426371-B1 TETRAZOYL OXIME DERIVATIVES AND AGROCHEMICALS CONTAINING THE SAME AS THE ACTIVE INGREDIENT NIPPON SODA CO (JP) 2008-12-03 EP disclosed
US-20070105926-A1 Tetrazoyloxime derivative and agricultural chemical containing the same as active ingredient NIPPON SODA CO., LTD (JP) 2007-05-10 US disclosed
US-7183299-B2 Tetrazoyl oxime derivative and agricultural chemical containing the same as active ingredient NIPPON SODA CO., LTD. (JP) 2007-02-27 US disclosed
US-20050070439-A1 Tetrazoyl oxime derivative and agricultural chemical containing the same as active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-03-31 US disclosed
EP-1426371-A1 TETRAZOYL OXIME DERIVATIVE AND AGRICULTURAL CHEMICAL CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-06-09 EP 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-20070105926-A1 Tetrazoyloxime derivative and agricultural chemical containing the same as active ingredient PAOX, TH, CYP2E1 PDE5A 3304/4885KMT2A 1196/4885SMN1; SMN2 2940/4885
US-20050070439-A1 Tetrazoyl oxime derivative and agricultural chemical containing the same as active ingredient TH, CYP2E1, PAOX PDE5A 3128/4885KMT2A 1419/4885SMN1; SMN2 2408/4885

“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.