SCHEMBL16289690

SCHEMBL16289690

O=[N+]([O-])c1ccc2[c]coc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 3/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 4/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPRC P08575 2/20 0.39
S100A4 P26447 1/20 0.39
PSMB8 P28062 1/20 0.38
GPR35 Q9HC97 2/20 0.38
CYP3A4 P08684 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
PTPN1 P18031 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
SCHEMBL16289363 0.86 ALDH1A1 (0.43) MEN1MAPTKMT2ATSHRLMNA
SCHEMBL7703302 0.67 MEN1 (0.82) MEN1MAPTKMT2ATSHRLMNA
SCHEMBL3799970 0.67 MAPT (0.46) MEN1MAPTKMT2ATSHRLMNA
SCHEMBL16289853 0.66 CRHBP (0.44) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL649172 0.64 CYP3A4 (0.49) MAPTTSHRLMNAALDH1A1TDP1
SCHEMBL645032 0.64 TSHR (0.45) MAPTTSHRLMNAALDH1A1TDP1
SCHEMBL16290034 0.64 TSHR (0.45) MEN1MAPTKMT2ATSHRLMNA
SCHEMBL10718955 0.64 MAPT (0.44) MEN1MAPTKMT2ATSHRLMNA
SCHEMBL7029620 0.64 CYP3A4 (0.49) MEN1MAPTKMT2ATSHRALDH1A1
SCHEMBL30349659 0.64 ALDH1A1 (0.52) MEN1MAPTKMT2ATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
CN-104955332-A Method for controlling arthropod pest SUMITOMO CHEMICAL CO 2015-09-30 CN disclosed
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 MEN1 2787/4885MAPT 2614/4885KMT2A 393/4885
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 MEN1 4138/4885MAPT 4111/4885KMT2A 346/4885

“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.