SCHEMBL3401008

SCHEMBL3401008

NCc1cccc(Br)c1.NCc1cccc(Br)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.68
IDO1 P14902 2/20 0.59
AGXT P21549 2/20 0.59
LOXL2 Q9Y4K0 2/20 0.55
PNMT P11086 1/20 0.54
ENPP2 Q13822 1/20 0.54
MAOB P27338 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PRMT6 Q96LA8 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
SCHEMBL42451 1.00
SCHEMBL29469769 1.00
Bromide SCHEMBL4208477 0.98 TAAR1 (0.65) TAAR1IDO1AGXTLOXL2PNMT
Hydrochloric Acid SCHEMBL302987 0.98 TAAR1 (0.65) TAAR1IDO1AGXTLOXL2PNMT
Iodide SCHEMBL31162584 0.98 TAAR1 (0.65) TAAR1IDO1AGXTLOXL2PNMT
Iodide SCHEMBL28639359 0.98 TAAR1 (0.65) TAAR1IDO1AGXTLOXL2PNMT
SCHEMBL27944031 0.86 TAAR1 (0.53) TAAR1IDO1AGXTLOXL2PNMT
SCHEMBL235748 0.81 TAAR1 (1.00) TAAR1IDO1AGXTLOXL2MAOB
SCHEMBL10422276 0.81 LOXL2 (0.71) TAAR1LOXL2PNMTENPP2SMN1; SMN2
SCHEMBL36008 0.81 LOXL2 (0.71) TAAR1LOXL2PNMTENPP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
EP-2247184-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-10 EP disclosed
WO-2009100167-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A TAAR1 890/4885IDO1 171/4885AGXT 4238/4885

“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.