SCHEMBL1767329

SCHEMBL1767329

O=[N+]([O-])c1cccc(COCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
LMNA P02545 1/20 0.59
MAOB P27338 2/20 0.56
MAOA P21397 1/20 0.56
ALDH1A1 P00352 4/20 0.55
ALOX15 P16050 1/20 0.55
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
RAB9A P51151 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
F2 P00734 1/20 0.51
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
ACHE P22303 1/20 0.50

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
SCHEMBL7861196 0.95 TSHR (0.59) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL28381738 0.90 TSHR (0.57) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL3147589 0.90 TSHR (0.57) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL11503161 0.90 TSHR (0.67) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL18714233 0.90 TSHR (0.57) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL3721964 0.90 TSHR (0.57) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL791926 0.87 TSHR (0.62) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL10456732 0.87 TSHR (0.54) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL30041959 0.87 TSHR (0.54) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL925746 0.87 TSHR (0.54) TSHRLMNAMAOBMAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112010763-A Preparation method of m-aminophenol 浙江理工大学 2020-12-01 CN claimed
CN-108017479-B Method for producing aromatic compound 东曹株式会社 2022-07-29 CN disclosed
CN-114618495-A Hierarchical porous carbon-supported nitrogen-sulfur co-coordinated cobalt monoatomic catalyst and preparation method and application thereof 中南大学 2022-06-14 CN disclosed
CN-114377565-A Membranes for removal of metal species from amines 恩特格里斯公司 2022-04-22 CN disclosed
CN-112010763-A Preparation method of m-aminophenol 浙江理工大学 2020-12-01 CN disclosed
CN-112010763-A Preparation method of m-aminophenol 浙江理工大学 2020-12-01 CN disclosed
CN-110272355-A Azobenzene derivatives and its manufacturing method 捷恩智株式会社 2019-09-24 CN disclosed
WO-2011067174-A1 ANILINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110130438-A1 ANILINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-02 US disclosed
US-7939569-B1 Aniline analogs as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-10 US disclosed
EP-1004621-B1 GAMMA-RAY STABILIZER AND THERMOPLASTIC POLYMER COMPOSITION CONTAINING THE SAME TEIJIN CHEMICALS LTD (JP) 2004-09-15 EP disclosed
US-6485657-B1 Gamma-ray stabilizer and thermoplastic polymer compound including the said stabilizer TEIJIN, LIMITED (JP) 2002-11-26 US disclosed
EP-1004621-A1 GAMMA-RAY STABILIZER AND THERMOPLASTIC POLYMER COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 2000-05-31 EP disclosed
US-5565324-A FOR IDENTIFICATION OF NON-OLIGOMERIC COMPOUND, USING SOLID SUPPORT THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1996-10-15 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-20110130438-A1 ANILINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, PYGL, GYS1 TSHR 2298/4885LMNA 454/4885MAOB 121/4885

“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.