SCHEMBL18935975

SCHEMBL18935975

[CH2]c1ccc2occ([N+](=O)[O-])c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
PAX8 Q06710 1/20 0.38
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 3/20 0.32
VCAM1 P19320 1/20 0.32
TSHR P16473 4/20 0.32
LMNA P02545 3/20 0.32
CYP3A4 P08684 2/20 0.32
HPGD P15428 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
CYP1A2 P05177 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32

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
SCHEMBL14137430 0.79 SIRT1 (0.48) PTPN1MAPTKMT2AGAAALOX12
SCHEMBL8081425 0.74 TDP1 (0.48) PTPN1MAPTMEN1KMT2AGAA
SCHEMBL14137473 0.72 CYP2C9 (0.42) PTPN1MAPTMEN1KMT2AGAA
SCHEMBL18936055 0.69 GSK3B (0.35) ALDH1A1CA12CA1CA2CA9
SCHEMBL11398801 0.69 MAOB (0.50) PTPN1ALDH1A1TSHRCYP3A4CA12
SCHEMBL11610254 0.69 PTPN1 (0.55) PTPN1KMT2AALOX12ALDH1A1VCAM1
SCHEMBL5178027 0.69 TSHR (0.56) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL14137439 0.68 MAOB (0.57) MEN1KMT2AL3MBTL1
SCHEMBL18935951 0.68 PTPN1 (0.35) PTPN1MAPTLMNA
SCHEMBL18936067 0.68 SIRT1 (0.38) MAPTKMT2AALOX12ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3178323-B1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2021-06-23 EP disclosed
US-10251396-B2 Amide compound and use of same for noxious arthropod control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-04-09 US disclosed
US-9854803-B2 Noxious arthropod control agent containing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-02 US disclosed
US-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-19 US disclosed
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-03 US disclosed
EP-3178322-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL Sumitomo Chemical Company Limited (JP) 2017-06-14 EP disclosed
EP-3178323-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-06-14 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 (3 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-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL OPRM1, TRPA1, L3MBTL3 PTPN1 2058/4885MAPT 4142/4885MEN1 4192/4885
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND TRPA1, OPRM1, OPRL1 PTPN1 1251/4885MAPT 3947/4885MEN1 4523/4885
US-10251396-B2 Amide compound and use of same for noxious arthropod control OPRM1, TRPA1, L3MBTL3 PTPN1 2058/4885MAPT 4142/4885MEN1 4192/4885

“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.