SCHEMBL1549920

SCHEMBL1549920

CC(C)(COCc1ccccc1I)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
SSTR4 P31391 4/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 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
SCHEMBL5221235 0.80 KDM4E (0.49) CYP2C9CYP2C19MAPTKDM4EMEN1
SCHEMBL1549966 0.75 P2RX7 (0.39) SSTR4LMNASCN5ACMA1ALDH1A1
SCHEMBL3511351 0.74 KDM4E (0.46) CYP2C9CYP2C19MAPTKDM4EMEN1
SCHEMBL20324277 0.72 LMNA (0.40) MEN1KMT2APOLBSSTR4NPC1
SCHEMBL23123287 0.72 NPC1 (0.47) CYP2D6CYP2C9CYP2C19CYP1A2MAPT
SCHEMBL1228231 0.70 IDO1 (0.67) IDO1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL14142194 0.68 MAOB (0.45) CYP2C9MAPTKDM4EKMT2ALMNA
SCHEMBL7408911 0.67 SSTR4 (0.59) CYP2C9CYP2C19KDM4EMEN1KMT2A
SCHEMBL30687350 0.67 MGAM (0.36) KDM4ELMNAALDH1A1
SCHEMBL19535134 0.67 IDO1 (0.57) IDO1CYP2D6CYP2C9CYP2C19CYP1A2

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
CN-102119147-A Oxime ether derivative and bactericide for agricultural and horticultural use NIPPON SODA CO 2011-07-06 CN 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 168/4885CYP2D6 103/4885CYP2C9 117/4885

“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.