SCHEMBL1549969

SCHEMBL1549969

CC(C)(C)OC(=O)NOCc1cccc(F)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SCN9A Q15858 3/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
P2RX7 Q99572 1/20 0.39
CYP3A4 P08684 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
NQO2 P16083 1/20 0.38
PTPN1 P18031 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
APLNR P35414 1/20 0.36
RPS6KA1 Q15418 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CMA1 P23946 1/20 0.35
RIPK1 Q13546 1/20 0.34

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 0.75 IDO1 (0.46) ALDH1A1LMNAPOLBNQO2CA12
SCHEMBL9395412 0.75 NQO2 (0.51) CTSSCTSKNQO2
SCHEMBL1549924 0.74 IDO1 (0.45) ALDH1A1LMNAPOLBCTSSNQO2
SCHEMBL27481676 0.74 ALDH1A1 (0.42) ALDH1A1LMNAPOLBP2RX7CMA1
SCHEMBL19983031 0.72 SCN9A (0.40) SCN9ACTSSCTSKPTPN1CA12
SCHEMBL3108661 0.72 P2RX7 (0.45) LMNAPOLBP2RX7NQO2RXFP1
SCHEMBL1549966 0.71 P2RX7 (0.39) ALDH1A1LMNASCN9AP2RX7CMA1
SCHEMBL716007 0.70 NPC1 (0.56) CTSSCTSKCA12CA1CA7
SCHEMBL19983074 0.70 KMT2A (0.40) LMNAPOLBSCN9ACTSSCTSK
SCHEMBL31226626 0.70 KCNA5 (0.43) ALDH1A1LMNAPOLBP2RX7NQO2

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 ALDH1A1 1489/4885LMNA 3660/4885POLB 4485/4885

“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.