SCHEMBL5522955

SCHEMBL5522955

O=CNc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.58
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
VCAM1 P19320 1/20 0.51
MAPT P10636 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
APP P05067 1/20 0.51
MAPK1 P28482 3/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KCNMA1 Q12791 3/20 0.49
PKM P14618 2/20 0.46
TRPV1 Q8NER1 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL28859083 0.82 L3MBTL1 (0.61) L3MBTL1ALDH1A1NPSR1VCAM1MAPT
SCHEMBL11295740 0.81 MEN1 (0.54) L3MBTL1ALDH1A1MAPTTDP1MAPK1
SCHEMBL28748710 0.80 L3MBTL1 (0.63) L3MBTL1ALDH1A1NPSR1VCAM1MAPT
SCHEMBL6182170 0.79 TSHR (0.56) L3MBTL1ALDH1A1MAPTTDP1MAPK1
SCHEMBL11475777 0.79 ALDH5A1 (0.57) L3MBTL1ALDH1A1VCAM1MAPTTDP1
SCHEMBL13167869 0.79 MAPK1 (0.46) L3MBTL1MAPTMAPK1PKMTRPV1
SCHEMBL14858301 0.79 HCAR3 (0.37) L3MBTL1ALDH1A1NPSR1MAPTMAPK1
SCHEMBL7532822 0.79 TDP1 (0.50) L3MBTL1ALDH1A1MAPTTDP1MAPK1
SCHEMBL1435250 0.79 KCNMA1 (0.48) NPSR1MAPTTDP1MAPK1POLB
SCHEMBL1982270 0.79 L3MBTL1 (0.61) L3MBTL1ALDH1A1NPSR1VCAM1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-7241770-B2 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-10 US disclosed
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH. 2005-06-16 US disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO 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-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors OPRL1, ORMDL3, OGFRL1 L3MBTL1 2414/4885ALDH1A1 498/4885NPSR1 43/4885

“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.