SCHEMBL4900201

SCHEMBL4900201

COc1cc(C(=O)N2CCOc3ccccc32)cc(Cl)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.60
POLB P06746 3/20 0.59
MAPT P10636 2/20 0.53
NOTUM Q6P988 1/20 0.50
NR3C2 P08235 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.48
LMNA P02545 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL4901855 0.89 POLB (0.70) SLC22A12POLBMAPTNOTUMNR3C2
SCHEMBL4900286 0.87 POLB (0.65) POLBMAPTNOTUMNR3C2RXFP1
SCHEMBL4903593 0.86 POLB (0.64) SLC22A12POLBMAPTNOTUMNR3C2
SCHEMBL4899011 0.82 POLB (0.60) SLC22A12POLBNOTUMNR3C2RXFP1
SCHEMBL5012582 0.80 POLB (0.68) SLC22A12POLBMAPTNOTUMNR3C2
SCHEMBL4898938 0.80 THRB (0.54) SLC22A12POLBMAPTRXFP1SLC22A6
SCHEMBL4891265 0.80 POLB (0.61) SLC22A12POLBMAPTNOTUMNR3C2
SCHEMBL4898949 0.80 TP53 (0.47) SLC22A12POLBMAPTRXFP1SLC22A6
SCHEMBL4902036 0.80 POLB (0.58) SLC22A12POLBMAPTNOTUMNR3C2
SCHEMBL4900042 0.79 POLB (0.70) SLC22A12POLBMAPTNOTUMNR3C2

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 SLC22A12 446/4885POLB 4604/4885MAPT 962/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 SLC22A12 260/4885POLB 4164/4885MAPT 552/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 SLC22A12 371/4885POLB 4495/4885MAPT 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.