SCHEMBL3156019

SCHEMBL3156019

O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cn2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
SLC2A1 P11166 1/20 0.52
LMNA P02545 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
ALOX12 P18054 2/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
AGTR1 P30556 1/20 0.49
HSPB1 P04792 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL8974165 0.89 NPC1 (0.53) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL27617094 0.87 RAB9A (0.56) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL7039450 0.87 KDM4E (0.59) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL17675603 0.85 MAPT (0.49) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL71038 0.84 LMNA (0.54) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL10912996 0.84 HSPB1 (0.41) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL5142118 0.82 SMN1; SMN2 (0.50) MAPTADRA2AADRA2BADRA2CSLC2A1
Hydrochloric Acid SCHEMBL27598115 0.82 LMNA (0.53) MAPTADRA2AADRA2BADRA2CLMNA
SCHEMBL695031 0.81 RAB9A (0.43) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL4667403 0.81 MAPT (0.51) MAPTADRA2AADRA2BADRA2CSLC2A1

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
US-8455690-B2 Method for producing arylhydroxylamine WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-06-04 US disclosed
US-20100113830-A1 METHOD FOR PRODUCING ARYLHYDROXYLAMINE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-05-06 US disclosed
EP-2154125-A1 METHOD FOR PRODUCING ARYLHYDROXYLAMINE Wako Pure Chemical Industries, Ltd. (JP) 2010-02-17 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 (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-20100113830-A1 METHOD FOR PRODUCING ARYLHYDROXYLAMINE PAH, APEH, HPD MAPT 4363/4885ADRA2A 924/4885ADRA2B 1904/4885

“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.