SCHEMBL248259

SCHEMBL248259

O=[N+]([O-])c1c[c]c2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
ALDH1A1 P00352 6/20 0.47
LMNA P02545 2/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
CYP3A4 P08684 1/20 0.41
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
CASP6 P55212 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NQO2 P16083 1/20 0.39
CYP19A1 P11511 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
SCHEMBL645032 0.78 TSHR (0.45) TSHRTDP1ALDH1A1LMNAMAPT
SCHEMBL8528988 0.74 TSHR (0.42) TSHRTDP1ALDH1A1LMNAMEN1
SCHEMBL4310351 0.73 TDP1 (0.49) TSHRTDP1ALDH1A1LMNAMEN1
SCHEMBL29929890 0.71 LMNA (0.56) TSHRTDP1ALDH1A1LMNAMEN1
SCHEMBL57616 0.71 LMNA (0.56) TSHRTDP1ALDH1A1LMNAMEN1
SCHEMBL2314445 0.70 MAPT (0.35) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL31677837 0.69 LMNA (0.54) TSHRTDP1ALDH1A1LMNAMEN1
SCHEMBL5167846 0.69 LMNA (0.54) TSHRTDP1ALDH1A1LMNAMEN1
SCHEMBL2760792 0.69 LMNA (0.54) TSHRTDP1ALDH1A1LMNAMEN1
SCHEMBL456729 0.69 CYP2A6 (0.46) TSHRALDH1A1MEN1KMT2ARAB9A

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP claimed
JP-2002514197-A 2002-05-14 JP claimed
EP-0944594-A4 INHIBITORS OF THE ENZYMATIC ACTIVITY OF PSA LILLY CO ELI (US) 2000-05-03 EP claimed
EP-0944594-A1 INHIBITORS OF THE ENZYMATIC ACTIVITY OF PSA ELI LILLY AND COMPANY (US) 1999-09-29 EP claimed
WO-1998025895-A1 INHIBITORS OF THE ENZYMATIC ACTIVITY OF PSA ELI LILLY AND COMPANY (US) 1998-06-18 WO claimed
CN-107315318-B Photosensitive composition 东京应化工业株式会社 2022-07-01 CN disclosed
CN-107311889-B Compound and method for producing same 东京应化工业株式会社 2022-01-14 CN disclosed
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
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
CN-1029405-C Lipid A analogs having immunoactivating and anti-tumor activity SANKYO CO (JP) 1995-08-02 CN disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
CN-1052481-A Lipoid category-A with immunocompetence and anti-tumor activity is like thing SANKYO CO (JP) 1991-06-26 CN disclosed
US-H830-H CONTAINING A DESILVERING ACCELERATOR RELEASING COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1990-10-02 US disclosed
US-4139537-A 3-Aryloxy-1-(2- or 4-iminodihydro-1-pyridyl)-2-propanol antiarrhythmic compounds COOPER LABORATORIES, INC. (US) 1979-02-13 US 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 TSHR 507/4885TDP1 4674/4885ALDH1A1 3053/4885

“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.