SCHEMBL4891022

SCHEMBL4891022

O=C(c1cc(Cl)c(O)c(Cl)c1)N1CCOc2cc(Cl)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
SLC22A12 Q96S37 4/20 0.51
IDO1 P14902 1/20 0.50
KCNH2 Q12809 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.44
CYP2C9 P11712 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
RORC P51449 1/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
NAAA Q02083 1/20 0.40
NR3C2 P08235 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NOTUM Q6P988 1/20 0.39
AVPR2 P30518 1/20 0.39

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
SCHEMBL4892266 0.90 POLB (0.57) POLBSLC22A12IDO1KCNH2SLC22A6
SCHEMBL4901905 0.90 SLC22A12 (0.51) POLBSLC22A12IDO1KCNH2SLC22A6
SCHEMBL4902013 0.88 POLB (0.52) POLBSLC22A12IDO1KCNH2SLC22A6
SCHEMBL4900405 0.88 SLC22A12 (0.49) POLBSLC22A12IDO1KCNH2SLC22A6
SCHEMBL4894406 0.88 SLC22A12 (0.49) POLBSLC22A12IDO1KCNH2SLC22A6
SCHEMBL4901855 0.86 POLB (0.70) POLBSLC22A12SLC22A6SLC22A8GPBAR1
SCHEMBL4898949 0.84 TP53 (0.47) POLBSLC22A12IDO1KCNH2SLC22A6
SCHEMBL4901814 0.83 SLC22A12 (0.46) POLBSLC22A12SLC22A6SLC22A8MAPT
SCHEMBL4903569 0.83 POLB (0.48) POLBSLC22A12IDO1KCNH2SLC22A6
SCHEMBL4902073 0.82 POLB (0.51) POLBSLC22A12SLC22A6SLC22A8GPBAR1

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 4604/4885SLC22A12 446/4885IDO1 2042/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 POLB 4164/4885SLC22A12 260/4885IDO1 709/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 POLB 4495/4885SLC22A12 371/4885IDO1 1344/4885

“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.