SCHEMBL7542680

SCHEMBL7542680

C1=NO1.Cc1cccc(OCC(C#N)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37

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
SCHEMBL7543533 0.85 FFAR1 (0.39) TP53POLBDRD2DRD4KMT2A
SCHEMBL7537858 0.82 SCN4A (0.39) POLBADRB2KMT2AMEN1MAPT
SCHEMBL7543015 0.78 SCN4A (0.51) DRD2DRD4KMT2AMEN1MAPT
SCHEMBL8193623 0.73 SCN4A (0.44) POLBADRB2KMT2AMEN1MAPT
SCHEMBL19685914 0.71 SCN4A (0.69) ADRB2ADRB1
SCHEMBL1496709 0.71 ADRB2 (0.55) ADRB2ADRB1DRD2DRD4KMT2A
SCHEMBL7711687 0.71 TP53 (0.46) TP53POLBKMT2AMAPTHTT
SCHEMBL8369947 0.70 CHRNB2 (0.34) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL7534886 0.69 TRPA1 (0.42) POLBKMT2AMEN1HTTALDH1A1
SCHEMBL23235813 0.68 ACHE (0.43) DRD2DRD4KMT2AMEN1MAPT

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-20020032227-A1 Oxime derivative and bactericide containing the same as active ingredient TAKASE AKIRA (JP) 2002-03-14 US disclosed
US-6268312-B1 FUNGICIDES SHIONOGI & CO., LTD. (JP) 2001-07-31 US disclosed
US-6048885-A FUNGICIDES SHIONOGI & CO., LTD. (JP) 2000-04-11 US disclosed
EP-0754684-A1 OXIME DERIVATIVE AND BACTERICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SHIONOGI & CO., LTD. (JP) 1997-01-22 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 (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-20020032227-A1 Oxime derivative and bactericide containing the same as active ingredient MSMO1, O60361, CBR1 TP53 4649/4885POLB 2058/4885ADRB2 3032/4885

“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.