SCHEMBL4898903

SCHEMBL4898903

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

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.70
SLC22A6 Q4U2R8 1/20 0.70
SLC22A8 Q8TCC7 1/20 0.70
POLB P06746 1/20 0.64
NOTUM Q6P988 1/20 0.57
NR3C2 P08235 1/20 0.55
PDK1 Q15118 1/20 0.49
SCD5 Q86SK9 1/20 0.48
CTSD P07339 1/20 0.46
RXFP1 Q9HBX9 2/20 0.46
THRB P10828 1/20 0.45
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
GPBAR1 Q8TDU6 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
SCHEMBL4892181 0.87 POLB (0.64) SLC22A12SLC22A6SLC22A8POLBNOTUM
SCHEMBL4900194 0.85 POLB (0.62) SLC22A12SLC22A6SLC22A8POLBNOTUM
SCHEMBL4901707 0.85 POLB (0.62) SLC22A12SLC22A6SLC22A8POLBNOTUM
SCHEMBL4895907 0.85 POLB (0.62) SLC22A12SLC22A6SLC22A8POLBNOTUM
SCHEMBL4901855 0.85 POLB (0.70) SLC22A12SLC22A6SLC22A8POLBNOTUM
SCHEMBL4895633 0.83 SLC22A12 (0.65) SLC22A12SLC22A6SLC22A8POLBNOTUM
SCHEMBL4902108 0.83 SLC22A6 (0.65) SLC22A12SLC22A6SLC22A8POLBTHRB
SCHEMBL4895476 0.83 SLC22A12 (0.65) SLC22A12SLC22A6SLC22A8POLBNR3C2
SCHEMBL16193763 0.83 POLB (0.78) SLC22A12POLBNOTUMNR3C2PDK1
SCHEMBL5012553 0.82 POLB (0.78) SLC22A12SLC22A6SLC22A8POLBNOTUM

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 12 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
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 446/4885SLC22A6 521/4885SLC22A8 216/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 SLC22A12 260/4885SLC22A6 375/4885SLC22A8 222/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 SLC22A12 371/4885SLC22A6 285/4885SLC22A8 354/4885

“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.