SCHEMBL1549924

SCHEMBL1549924

CC(C)(C)OC(=O)NOCc1ccccc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
ALDH1A1 P00352 1/20 0.41
AKT1 P31749 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPK8 P45983 1/20 0.39
NQO2 P16083 1/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL32665604 0.84 IDO1 (0.46) IDO1ALDH1A1AKT1LMNAPOLB
SCHEMBL9395412 0.80 NQO2 (0.51) MAPK8NQO2RAB9AMEN1NPC1
SCHEMBL15761246 0.80 IDO1 (0.52) IDO1ALDH1A1LMNAMAPK8RAB9A
SCHEMBL4023980 0.79 KCNA5 (0.51) IDO1AKT1LMNAPOLBNQO2
SCHEMBL716007 0.78 NPC1 (0.56) IDO1AKT1RAB9ANPC1CA12
SCHEMBL32665616 0.77 PTGER1 (0.46) ALDH1A1AKT1LMNAMEN1GAA
SCHEMBL20777604 0.77 NQO2 (0.56) IDO1LMNANQO2MEN1KMT2A
SCHEMBL15761248 0.76 IDO1 (0.47) IDO1ALDH1A1LMNAMAPK8RAB9A
SCHEMBL1985462 0.76 IDO1 (0.43) IDO1ALDH1A1AKT1LMNAPOLB
SCHEMBL1549969 0.74 ALDH1A1 (0.46) ALDH1A1LMNAPOLBNQO2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144374-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURE AND HORTICULTURE NIPPON SODA CO., LTD. (JP) 2011-06-16 US disclosed
US-20110144374-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURE AND HORTICULTURE NIPPON SODA CO., LTD. (JP) 2011-06-16 US disclosed
EP-2314570-A1 OXIME ETHER DERIVATIVE AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2011-04-27 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-20110144374-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURE AND HORTICULTURE CBR3, CNPY2, NOX3 IDO1 168/4885ALDH1A1 1489/4885AKT1 1214/4885

“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.