SCHEMBL5015512

SCHEMBL5015512

O=C(O)c1ccc(C(=O)N2CCOc3ccccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.77
NOTUM Q6P988 1/20 0.61
NR3C2 P08235 1/20 0.58
PDK1 Q15118 1/20 0.52
NAAA Q02083 1/20 0.51
SLC22A12 Q96S37 4/20 0.49
ALDH1A1 P00352 2/20 0.49
CTSD P07339 1/20 0.48
MAPT P10636 1/20 0.48
SCD5 Q86SK9 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL16193763 0.92 POLB (0.78) POLBNOTUMNR3C2PDK1NAAA
SCHEMBL4898768 0.88 POLB (0.77) POLBNOTUMNR3C2PDK1NAAA
SCHEMBL5015476 0.87 POLB (0.64) POLBNOTUMNR3C2PDK1NAAA
SCHEMBL5012014 0.84 NOTUM (0.63) POLBNOTUMNR3C2PDK1SLC22A12
SCHEMBL5012624 0.83 POLB (0.70) POLBNOTUMNR3C2PDK1NAAA
SCHEMBL5015497 0.82 POLB (0.68) POLBNOTUMNR3C2PDK1NAAA
SCHEMBL4892163 0.81 NAAA (0.74) POLBNOTUMNR3C2NAAAMAPT
SCHEMBL6648039 0.81 NOTUM (0.73) POLBNOTUMNR3C2PDK1SLC22A12
SCHEMBL5012553 0.80 POLB (0.78) POLBNOTUMNR3C2PDK1SLC22A12
SCHEMBL4892181 0.80 POLB (0.64) POLBNOTUMNR3C2PDK1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP 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 (2 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

“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.