SCHEMBL835671

SCHEMBL835671

Brc1cnc2cc(-c3cccc(OCc4ccccc4)c3)cnn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.49
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
NAAA Q02083 1/20 0.44
PLAT P00750 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
HDAC4 P56524 1/20 0.42
NR4A2 P43354 1/20 0.41
NR1H2 P55055 1/20 0.41
IGF1R P08069 1/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL834862 0.82 EGLN2 (0.48) EGLN1
SCHEMBL379281 0.77 MAOB (0.67) MAOBMRGPRX4NR4A2CYP4F2CYP4A11
SCHEMBL2137838 0.75 MRGPRX4 (0.69) MAOBMRGPRX4NAAAHDAC4NR4A2
SCHEMBL12746077 0.74 MAOB (0.81) MAOBGABRG2GABRB3GABRA5GABRA3
SCHEMBL8390697 0.72 MAOB (0.62) MAOBGABRG2GABRB3GABRA5GABRA3
SCHEMBL16346074 0.71 GSTP1 (0.66) MAOBMRGPRX4NAAAHDAC4NR4A2
SCHEMBL13440413 0.71 EGLN1 (0.46) MAOBGABRG2GABRB3GABRA5GABRA3
SCHEMBL6816900 0.71 MAOB (0.59) MAOBMRGPRX4HDAC4NR4A2IGF1R
SCHEMBL1956583 0.70 MRGPRX4 (0.58) MAOBMRGPRX4NAAAHDAC4NR4A2
SCHEMBL8383123 0.70 L3MBTL1 (0.45) MAOBMRGPRX4NAAAEGLN1NR4A2

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-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
EP-2183027-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-08-31 EP disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
EP-2183027-A1 ORGANIC COMPOUNDS Novartis Ag (CH) 2010-05-12 EP disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 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-20100204235-A1 ORGANIC COMPOUNDS ALK, OR10J3, FFAR4 MAOB 1721/4885GABRG2 890/4885GABRB3 937/4885

“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.