SCHEMBL4427422

SCHEMBL4427422

O=[N+]([O-])c1cc(Cl)c2c(c1)NCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ MAPT P10636 5/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MPI P34949 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.39
▸ CYP19A1 P11511 1/20 0.37
▸ VCAM1 P19320 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL27670186 0.90 ALDH1A1 (0.48) ALDH1A1ADRA2AADRA2BADRA2CMAPT
SCHEMBL28330461 0.83 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AHSD17B10MEN1
SCHEMBL29581205 0.81 MAPT (0.44) ALDH1A1ADRA2AMAPTKMT2AMEN1
SCHEMBL28548105 0.81 MAPT (0.44) ALDH1A1ADRA2AMAPTKMT2AMEN1
SCHEMBL6185822 0.76 MAPT (0.50) ALDH1A1MAPTKMT2AHSD17B10MEN1
SCHEMBL27689229 0.74 HTR1D (0.44) ALDH1A1ADRA2AMAPTKMT2AMEN1
SCHEMBL29581896 0.71 PNMT (0.51) ALDH1A1ADRA2AADRA2BADRA2CMAPT
SCHEMBL395008 0.71 PNMT (0.51) ALDH1A1ADRA2AADRA2BADRA2CMAPT
Hydrogen Sulfide SCHEMBL28330489 0.70 PNMT (0.50) ALDH1A1ADRA2AADRA2BADRA2CMAPT
SCHEMBL8762465 0.69 ALDH1A1 (0.46) ALDH1A1ADRA2AADRA2BADRA2CMAPT

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-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 — — US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 — — EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 — — US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 — — EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 — — 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 ALDH1A1 2107/4885ADRA2A 47/4885ADRA2B 49/4885

“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.

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