SCHEMBL3144065

SCHEMBL3144065

O=[N+]([O-])c1cccc(-c2cccc([N+](=O)[O-])n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 5/20 0.39
ALDH1A1 P00352 6/20 0.39
PDE10A Q9Y233 1/20 0.38
GPR35 Q9HC97 1/20 0.38
S100A4 P26447 1/20 0.38
CCR1 P32246 2/20 0.37
CCR8 P51685 2/20 0.37
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
APEX1 P27695 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36

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
SCHEMBL3294386 0.87 TSHR (0.46) LMNATSHRTDP1ALDH1A1PDE10A
SCHEMBL28123780 0.86 RAB9A (0.56) LMNATDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12481395 0.82 F7 (0.39) LMNATSHRTDP1ALDH1A1PDE10A
SCHEMBL28207101 0.80 NPC1 (0.42) CYP1A2CYP2C19L3MBTL1
SCHEMBL28365390 0.80 CYP2A6 (0.56) ALDH1A1CYP1A2MAPTCYP3A4ABL1
SCHEMBL17598049 0.78 ERN1 (0.42) LMNATDP1ALDH1A1CYP1A2MAPT
SCHEMBL4494414 0.77 LMNA (0.38) LMNATSHRTDP1ALDH1A1PDE10A
SCHEMBL3865531 0.77 GPR35 (0.45) LMNATSHRTDP1ALDH1A1PDE10A
SCHEMBL873623 0.77 TSHR (0.43) LMNATSHRTDP1ALDH1A1PDE10A
SCHEMBL18387601 0.77 LMNA (0.38) LMNATSHRTDP1ALDH1A1PDE10A

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 5 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
US-4369318-A USING A BENZO-OR PYRIDO-CINNOLINES AS BLEACH CATALYST CIBA-GEIGY LTD. (CH) 1983-01-18 US disclosed
US-4266011-A FUSED PYRIDAZINE CATALYST CIBA-GEIGY AG (CH) 1981-05-05 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-20100113830-A1 METHOD FOR PRODUCING ARYLHYDROXYLAMINE PAH, APEH, HPD LMNA 2497/4885TSHR 2790/4885TDP1 2470/4885

“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.