SCHEMBL4901905

SCHEMBL4901905

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.51
POLB P06746 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
CYP2C9 P11712 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
IDO1 P14902 1/20 0.43
KCNH2 Q12809 1/20 0.43
RORC P51449 1/20 0.42
NR3C2 P08235 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
NOTUM Q6P988 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
TTR P02766 1/20 0.36
CCNK O75909 1/20 0.36

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
SCHEMBL4891022 0.90 POLB (0.57) SLC22A12POLBSLC22A6SLC22A8CYP2C9
SCHEMBL4902073 0.90 POLB (0.51) SLC22A12POLBSLC22A6SLC22A8CYP2C9
SCHEMBL4900405 0.88 SLC22A12 (0.49) SLC22A12POLBSLC22A6SLC22A8CYP2C9
SCHEMBL4902013 0.88 POLB (0.52) SLC22A12POLBSLC22A6SLC22A8CYP2C9
SCHEMBL4894406 0.88 SLC22A12 (0.49) SLC22A12POLBSLC22A6SLC22A8CYP2C9
SCHEMBL4901855 0.86 POLB (0.70) SLC22A12POLBSLC22A6SLC22A8CYP2C9
SCHEMBL4898949 0.84 TP53 (0.47) SLC22A12POLBSLC22A6SLC22A8IDO1
SCHEMBL4903569 0.83 POLB (0.48) SLC22A12POLBSLC22A6SLC22A8CYP2C9
SCHEMBL4901814 0.83 SLC22A12 (0.46) SLC22A12POLBSLC22A6SLC22A8
SCHEMBL4892266 0.82 POLB (0.57) SLC22A12POLBSLC22A6SLC22A8CYP2C9

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 4604/4885SLC22A6 521/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 SLC22A12 260/4885POLB 4164/4885SLC22A6 375/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 SLC22A12 371/4885POLB 4495/4885SLC22A6 285/4885

“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.