SCHEMBL4096904

SCHEMBL4096904

O=[N+]([O-])c1cc(Cl)cc2c1OCC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FABP4 P15090 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTR3A P46098 1/20 0.36
VCAM1 P19320 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PARP1 P09874 1/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
MCL1 Q07820 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL29739510 1.00 MAPK1 (0.37) MAPK1TSHRSMN1; SMN2FABP4MAPT
SCHEMBL10580640 0.81 ALDH1A1 (0.41) MAPK1TSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL29739713 0.80 PARP1 (0.51) MAPTALDH1A1L3MBTL1VCAM1MEN1
SCHEMBL6634968 0.80 PARP1 (0.51) MAPTALDH1A1L3MBTL1VCAM1MEN1
SCHEMBL15084266 0.80 GPR35 (0.46) MAPK1TSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL27087800 0.78 VCAM1 (0.36) MAPTALDH1A1L3MBTL1VCAM1LMNA
SCHEMBL4176261 0.78 MAPT (0.49) MAPK1TSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL31276651 0.78 MAPT (0.49) MAPK1TSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL30329748 0.76 GPR35 (0.37) MAPK1TSHRFABP4MAPTALDH1A1
SCHEMBL31009404 0.74 MAPT (0.35) MAPK1TSHRSMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018128-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-01-15 US disclosed
US-20090018128-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-01-15 US disclosed
US-20090018128-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-01-15 US disclosed
EP-1979358-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
WO-2008116816-A1 COMBINATION OF CB2 LIGAND AND PARACETAMOL GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
WO-2008116816-A1 COMBINATION OF CB2 LIGAND AND PARACETAMOL GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
WO-2007088168-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 WO disclosed
WO-2007088168-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 WO disclosed
EP-0620809-B1 $g(a)-SUBSTITUTED BENZENEMETHANAMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1997-03-05 EP disclosed
CN-1033451-C Alpha-substituted benzenemethanamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1996-12-04 CN disclosed
US-5480912-A Method of treating HIV-1 with α-substituted benzenemethanamine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 1996-01-02 US disclosed
US-5407961-A Useful for treating HIV-1 virus JANSSEN PHARMACEUTICA N.V. (BE) 1995-04-18 US disclosed
EP-0620809-A1 -g(a)-SUBSTITUTED BENZENEMETHANAMINE DERIVATIVES. JANSSEN PHARMACEUTICA NV (BE) 1994-10-26 EP disclosed
WO-1993013052-A1 α-SUBSTITUTED BENZENEMETHANAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-08 WO disclosed
CN-1073936-A The benzenemethanamine derivatives of alpha-substitution JANSSEN PHARMACEUTICA NV (BE) 1993-07-07 CN 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-20090018128-A1 Compounds CNR2, CNR1, TRPV1 MAPK1 2953/4885TSHR 2932/4885SMN1; SMN2 2207/4885

“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.