SCHEMBL4895907

SCHEMBL4895907

O=C(c1cc(I)c(O)c(I)c1)N1CCOc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
NOTUM Q6P988 1/20 0.59
NR3C2 P08235 1/20 0.54
SLC22A12 Q96S37 5/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
PDK1 Q15118 1/20 0.48
SCD5 Q86SK9 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 3/20 0.46
CTSD P07339 1/20 0.45
LMNA P02545 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL4901707 0.87 POLB (0.62) POLBNOTUMNR3C2SLC22A12SLC22A6
SCHEMBL4898903 0.85 SLC22A12 (0.70) POLBNOTUMNR3C2SLC22A12SLC22A6
SCHEMBL4901855 0.84 POLB (0.70) POLBNOTUMNR3C2SLC22A12SLC22A6
SCHEMBL4900194 0.84 POLB (0.62) POLBNOTUMNR3C2SLC22A12SLC22A6
SCHEMBL16193763 0.82 POLB (0.78) POLBNOTUMNR3C2SLC22A12PDK1
SCHEMBL5012553 0.81 POLB (0.78) POLBNOTUMNR3C2SLC22A12SLC22A6
SCHEMBL4898768 0.81 POLB (0.77) POLBNOTUMNR3C2SLC22A12SLC22A6
SCHEMBL4900215 0.80 POLB (0.57) POLBNOTUMNR3C2SLC22A12SLC22A6
SCHEMBL5014208 0.79 POLB (0.70) POLBNOTUMNR3C2SLC22A12SLC22A6
SCHEMBL18773878 0.79 POLB (0.62) POLBNOTUMNR3C2PDK1SCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US claimed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP claimed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US claimed
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 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 (3 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-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 POLB 4604/4885NOTUM 462/4885NR3C2 775/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 POLB 4164/4885NOTUM 1009/4885NR3C2 1019/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 POLB 4495/4885NOTUM 661/4885NR3C2 701/4885

“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.